SCHEMBL2846235

SCHEMBL2846235

CCCCOCC(C)(C)C=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
CYP3A4 P08684 2/20 0.38
CES1 P23141 1/20 0.37
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.34
CES2 O00748 2/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL216493 0.94 CES1 (0.44) TSHRCES1CES2ALDH1A1CA1
SCHEMBL342032 0.92 CES1 (0.47) TSHRCES1CES2ALDH1A1CA1
SCHEMBL2925106 0.92 CES1 (0.47) TSHRCES1CES2ALDH1A1CA1
SCHEMBL11220391 0.92 CES1 (0.47) TSHRCES1CES2ALDH1A1CA1
SCHEMBL341903 0.92 CES1 (0.47) TSHRCES1CES2ALDH1A1CA1
SCHEMBL2843425 0.86 HSD17B10 (0.30)
SCHEMBL342453 0.84 FAAH (0.48) CES1
SCHEMBL342451 0.84 FAAH (0.48) CES1
SCHEMBL10627165 0.81 TSHR (0.43) TSHRCYP3A4ALDH1A1
SCHEMBL2925467 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 107 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP claimed
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN claimed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US claimed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP claimed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US claimed
CN-103261145-A Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG 2013-08-21 CN claimed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO claimed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP claimed
US-20100130674-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2010-05-27 US claimed
EP-2132246-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT Sika Technology AG (CH) 2009-12-16 EP claimed
WO-2008116927-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2008-10-02 WO claimed
EP-1975187-A1 Method for manufacturing polyurethane compounds with low isocyanate-monomer content Sika Technology AG (CH) 2008-10-01 EP claimed
EP-1165538-B1 PROCESS FOR THE PREPARATION OF ALPHA-METHYLENELACTONES AND ALPHA-SUBSTITUTED HYDROCARBYLIDENE LACTONES DU PONT (US) 2004-11-17 EP claimed
US-6531616-B2 Contacting lactone compound with an oxalate in presence of a base and a solvent to form an intermediate mixture; reacting with a formaldehyde derivative to form a product mixture; isolating alpha - substituted hydrocarbylidene lactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-03-11 US claimed
JP-2002540201-A 2002-11-26 JP claimed
US-20020143195-A1 Process for the preparation of a-methylenelactones and a-substituted hydrocarbylidene lactones E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-03 US claimed
EP-1165538-A2 PROCESS FOR THE PREPARATION OF ALPHA-METHYLENELACTONES AND ALPHA-SUBSTITUTED HYDROCARBYLIDENE LACTONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-02 EP claimed
US-6232474-B1 HEATING E. I. DU PONT DE NEMOURS AND COMPANY 2001-05-15 US claimed
WO-2000058298-A2 PROCESS FOR THE PREPARATION OF α-METHYLENELACTONES AND α-SUBSTITUTED HYDROCARBYLIDENE LACTONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-10-05 WO claimed
EP-2651875-B1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECH AG (CH) 2017-08-30 EP disclosed
EP-1470173-B1 TWO-CONSTITUENT POLYURETHANE COMPOSITION HAVING HIGH EARLY STRENGTH SIKA TECH AG (CH) 2017-03-01 EP disclosed
EP-1470172-B1 POLYURETHANE COMPOSITION SIKA TECHNOLOGY AG (CH) 2016-11-16 EP disclosed
EP-2858965-B1 POLYURETHANE-BASED WATERPROOFING COMPOSITION FOR THE WATER-PROOFING OF CONCRETE STRUCTURES GCP APPLIED TECHNOLOGIES INC (US) 2016-08-24 EP disclosed
EP-2021391-B1 TWO-COMPONENT POLYURETHANE COMPOSITION WITH HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2016-07-27 EP disclosed
EP-2132248-B1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2016-07-13 EP disclosed
EP-1996635-B1 MOISTURE-CURING POLYURETHANE COMPOSITION WITH GOOD LOW-TEMPERATURE PERFORMANCE SIKA TECHNOLOGY AG (CH) 2016-05-11 EP disclosed
CN-103261145-B There is the amine of secondary aliphatic amino group SIKA TECHNOLOGY AG (CH) 2016-04-13 CN disclosed
US-9290603-B2 Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG (CH) 2016-03-22 US disclosed
EP-2090601-B1 Humidity reactive adhesive compositions with very low temperature dependency of shear modulus SIKA TECHNOLOGY AG (CH) 2016-02-17 EP disclosed
US-20150148449-A1 Polyurethane-based Waterproofing Composition for the Water-proofing of Concrete Structures VERIFI LLC 2015-05-28 US disclosed
EP-2225302-B1 PRIMER COMPOUND CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2015-04-22 EP disclosed
CN-104364225-A Polyurethane-based waterproofing composition for the water-proofing of concrete structures GRACE W R & CO 2015-02-18 CN disclosed
CN-101918467-B Primer composition containing aldimine SIKA TECHNOLOGY AG 2013-11-06 CN disclosed
EP-2651875-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS Sika Technology AG (CH) 2013-10-23 EP disclosed
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2013-09-12 US disclosed
CN-103261145-A Amines having secondary aliphatic amino groups SIKA TECHNOLOGY AG 2013-08-21 CN disclosed
CN-101379106-B Two-component polyurethane composition having high early strength SIKA TECHNOLOGY AG 2013-01-30 CN disclosed
WO-2012080264-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS SIKA TECHNOLOGY AG (CH) 2012-06-21 WO disclosed
EP-2465842-A1 Amines with secondary aliphatic amines Sika Technology AG (CH) 2012-06-20 EP disclosed
CN-101918467-A Primer composition containing aldimine SIKA TECHNOLOGY AG 2010-12-15 CN disclosed
US-20100279121-A1 PRIMER COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2010-11-04 US disclosed
US-20100273008-A1 POLYURETHANE POLYMER FOR REVERSIBLE ADHESIVE BONDS SIKA TECHNOLOGY AG (CH) 2010-10-28 US disclosed
EP-2225302-A1 PRIMER COMPOSITION CONTAINING ALDIMINE Sika Technology AG (CH) 2010-09-08 EP disclosed
US-20100130674-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2010-05-27 US disclosed
EP-2132248-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN Sika Technology AG (CH) 2009-12-16 EP disclosed
EP-2132246-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT Sika Technology AG (CH) 2009-12-16 EP disclosed
EP-2090601-A2 Humidity reactive adhesive compositions with very low temperature dependency of shear modulus Sika Technology AG (CH) 2009-08-19 EP disclosed
US-20090202837-A1 Moisture-Curing Polyurethane Composition with Good Low-Temperature Performance SIKA TECHNOLOGY AG (CH) 2009-08-13 US disclosed
WO-2009080731-A1 PRIMER COMPOSITION CONTAINING ALDIMINE SIKA TECHNOLOGY AG (CH) 2009-07-02 WO disclosed
EP-2072551-A1 Primer compound containing aldimine Sika Technology AG (CH) 2009-06-24 EP disclosed
EP-2062926-A1 Polyurethane polymer for reversible adhesive joints Sika Technology AG (CH) 2009-05-27 EP disclosed
CN-101400714-A Moisture-curing polyurethane compositions with good low-temperature properties SIKA TECHNOLOGY AG (CH) 2009-04-01 CN disclosed
EP-2036931-A1 Moisture curable adhesive compositions with low temperature-dependence of the shear module Sika Technology AG (CH) 2009-03-18 EP disclosed
US-20090068479-A1 Moisture-reactive adhesive compositions with very low temperature dependency of the shear modulus SIKA TECHNOLOGY AG (CH) 2009-03-12 US disclosed
CN-101379106-A Two-component polyurethane composition having high early strength SIKA TECHNOLOGY AG (CH) 2009-03-04 CN disclosed
EP-2021391-A1 TWO-COMPONENT POLYURETHANE COMPOSITION WITH HIGH EARLY STRENGTH Sika Technology AG (CH) 2009-02-11 EP disclosed
US-20090017311-A1 Two-Component Polyurethane Composition With High Early Strength SIKA TECHNOLOGY AG (CH) 2009-01-15 US disclosed
EP-1996635-A1 MOISTURE-CURING POLYURETHANE COMPOSITION WITH GOOD LOW-TEMPERATURE PERFORMANCE Sika Technology AG (CH) 2008-12-03 EP disclosed
WO-2008116928-A1 ALDIMINES WITH REACTIVE GROUPS COMPRISING ACTIVE HYDROGEN SIKA TECHNOLOGY AG (CH) 2008-10-02 WO disclosed
WO-2008116927-A1 METHOD FOR THE PRODUCTION OF POLYURETHANE COMPOSITIONS WITH A LOW ISOCYANATE MONOMER CONTENT SIKA TECHNOLOGY AG (CH) 2008-10-02 WO disclosed
EP-1975187-A1 Method for manufacturing polyurethane compounds with low isocyanate-monomer content Sika Technology AG (CH) 2008-10-01 EP disclosed
EP-1975190-A1 Aldimines with reactive groups containing active hydrogen Sika Technology AG (CH) 2008-10-01 EP disclosed
US-20080199621-A1 TWO-CONSTITUENT POLYURETHANE COMPOSITION HAVING HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2008-08-21 US disclosed
CN-100384825-C Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2008-04-30 CN disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20070276058-A1 Polyurethane composition SIKA SCHWEIZ AG (CH) 2007-11-29 US disclosed
WO-2007128824-A1 TWO-COMPONENT POLYURETHANE COMPOSITION WITH HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2007-11-15 WO disclosed
EP-1854817-A1 Two-component polyurethane composition having high early strength Sika Technology AG (CH) 2007-11-14 EP disclosed
WO-2007104761-A1 MOISTURE-CURING POLYURETHANE COMPOSITION WITH GOOD LOW-TEMPERATURE PERFORMANCE SIKA TECHNOLOGY AG (CH) 2007-09-20 WO disclosed
EP-1834971-A1 Moisture curable polyurethane composition having good low temperature properties Sika Technology AG (CH) 2007-09-19 EP disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
CN-1307224-C Polyurethane composition SIKA TECHNOLOGY AG (CH) 2007-03-28 CN disclosed
US-20070004893-A1 TWO-CONSTITUENT POLYURETHANE COMPOSITION HAVING HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2007-01-04 US disclosed
US-20060052522-A1 Two-constituent polyurethance composition having high early strength SIKA TECHNOLOGY AG (CH) 2006-03-09 US disclosed
CN-1608089-A Polyurethane composition SIKA TECHNOLOGY AG (CH) 2005-04-20 CN disclosed
US-20050065276-A1 Polyurethane composition SIKA SCHWEIZ AG (CH) 2005-03-24 US disclosed
EP-1165538-B1 PROCESS FOR THE PREPARATION OF ALPHA-METHYLENELACTONES AND ALPHA-SUBSTITUTED HYDROCARBYLIDENE LACTONES DU PONT (US) 2004-11-17 EP disclosed
EP-1470172-A1 POLYURETHANE COMPOSITION Sika Schweiz AG (CH) 2004-10-27 EP disclosed
EP-1470173-A1 TWO-CONSTITUENT POLYURETHANE COMPOSITION HAVING HIGH EARLY STRENGTH Sika Technology AG (CH) 2004-10-27 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
WO-2003059978-A1 TWO-CONSTITUENT POLYURETHANE COMPOSITION HAVING HIGH EARLY STRENGTH SIKA TECHNOLOGY AG (CH) 2003-07-24 WO disclosed
WO-2003059977-A1 POLYURETHANE COMPOSITION SIKA SCHWEIZ AG (CH) 2003-07-24 WO disclosed
EP-1329469-A1 Polyurethane composition Sika Schweiz AG (CH) 2003-07-23 EP disclosed
EP-0765314-B1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMA CO LTD (JP) 2003-05-07 EP disclosed
CN-1104418-C Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2003-04-02 CN disclosed
US-6531616-B2 Contacting lactone compound with an oxalate in presence of a base and a solvent to form an intermediate mixture; reacting with a formaldehyde derivative to form a product mixture; isolating alpha - substituted hydrocarbylidene lactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-03-11 US disclosed
US-20020143195-A1 Process for the preparation of a-methylenelactones and a-substituted hydrocarbylidene lactones E. I. DU PONT DE NEMOURS AND COMPANY 2002-10-03 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
EP-1165538-A2 PROCESS FOR THE PREPARATION OF ALPHA-METHYLENELACTONES AND ALPHA-SUBSTITUTED HYDROCARBYLIDENE LACTONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2002-01-02 EP disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6232474-B1 HEATING E. I. DU PONT DE NEMOURS AND COMPANY 2001-05-15 US disclosed
WO-2000058298-A2 PROCESS FOR THE PREPARATION OF α-METHYLENELACTONES AND α-SUBSTITUTED HYDROCARBYLIDENE LACTONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-10-05 WO disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5821391-A HYDROGENATING 1,3-DIOXANES IN THE PRESENCE OF A CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1998-10-13 US disclosed
US-5780686-A REACTING 1,3-DIOXANES WITH AMMONIA AND HYDROGEN IN PRESENCE OF HYDROGENATION CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5780687-A REACTING 1,3-DIOXANES WITH HYDROGEN IN PRESENCE OF HYDROGENATION CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
CN-1150799-A Benzoheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 1997-05-28 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0348793-B1 PROCESS FOR THE PREPARATION OF KETONES BASF Aktiengesellschaft (DE) 1993-09-22 EP disclosed
US-4939280-A Aluminum phosphate catalysts with zeolitic structure molcular sieves BASF AKTIENGESELLSCHAFT (DE) 1990-07-03 US disclosed
EP-0348793-A2 Process for the preparation of ketones BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed
US-4720535-A Moisture tempered, storage stable single component polyurethane systems and their application BASF AKTIENGESELLSCHAFT (DE) 1988-01-19 US disclosed
US-4709097-A CATALYTIC ISOMERIZATION WITH ACIDIC ZEOLITE BASF AKTIENGESELLSCHAFT (DE) 1987-11-24 US disclosed
EP-0239834-A1 Moisture-curable, storage-stable one-component polyurethane systems and their use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed
EP-0239834-A1 Moisture-curable, storage-stable one-component polyurethane systems and their use BASF Aktiengesellschaft (DE) 1987-10-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885CYP3A4 597/4885CES1 1543/4885
US-20130237681-A1 AMINES HAVING SECONDARY ALIPHATIC AMINO GROUPS AAAS, PNMT, PARG TSHR 4479/4885CYP3A4 4204/4885CES1 4112/4885
US-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B TSHR 180/4885CYP3A4 3182/4885CES1 3079/4885
US-20020143195-A1 Process for the preparation of a-methylenelactones and a-substituted hydrocarbylidene lactones ESD, ODC1, DDT TSHR 4620/4885CYP3A4 109/4885CES1 728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.