SCHEMBL528612

SCHEMBL528612

O=C(O)c1ccccc1OCO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KMT2A Q03164 2/20 0.67
PTK2B Q14289 1/20 0.67
KDM4E B2RXH2 9/20 0.65
HTT P42858 3/20 0.65
HSD17B10 Q99714 6/20 0.55
HPGD P15428 5/20 0.55
ESR1 P03372 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
HMGB1 P09429 1/20 0.55
TSHR P16473 1/20 0.55
GGT1 P19440 1/20 0.55
PTGS1 P23219 1/20 0.55
PTGS2 P35354 1/20 0.55
BLM P54132 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.53
PDE3A Q14432 1/20 0.53

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
SCHEMBL29444034 0.85 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL489857 0.85 ALDH1A1 (0.48) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL633198 0.85 ALDH1A1 (0.69) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL2049483 0.85 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL30211332 0.85 ALDH1A1 (0.89) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL29405903 0.84 ALDH1A1 (0.73) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL78745 0.84 ALDH1A1 (0.73) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL212173 0.83 ALDH1A1 (0.79) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL29550999 0.82 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT
SCHEMBL122684 0.82 ALDH1A1 (0.71) ALDH1A1KMT2APTK2BKDM4EHTT

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 92 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11220650-B2 Grease composition SHELL OIL COMPANY (US) 2022-01-11 US claimed
US-11198830-B2 Grease composition SHELL OIL COMPANY (US) 2021-12-14 US claimed
US-10023689-B2 Functional biodegradable polymers THE UNIVERSITY OF AKRON 2018-07-17 US claimed
US-20160229952-A1 FUNCTIONAL BIODEGRADABLE POLYMERS NATIONAL SCIENCE FOUNDATION 2016-08-11 US claimed
CN-103124759-B Functional biodegradable polymers UNIV AKRON 2015-03-25 CN claimed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US claimed
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP claimed
EP-2448913-B1 CONTINUOUS METHOD FOR ACYLATING AMINO GROUP-CARRYING ORGANIC ACIDS CLARIANT FINANCE BVI LTD (VG) 2013-04-24 EP claimed
EP-2448904-B1 CONTINUOUS METHOD FOR PRODUCING ESTERS OF AROMATIC CARBOXYLIC ACIDS CLARIANT FINANCE BVI LTD (VG) 2013-04-17 EP claimed
EP-2448904-A2 CONTINUOUS METHOD FOR PRODUCING ESTERS OF AROMATIC CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2012-05-09 EP claimed
EP-2448913-A2 CONTINUOUS METHOD FOR ACYLATING AMINO GROUP-CARRYING ORGANIC ACIDS Clariant Finance (BVI) Limited (VG) 2012-05-09 EP claimed
US-20120090983-A1 Continuous Method For Acylating Amino Group-Carrying Organic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-19 US claimed
US-20120088918-A1 Continuous Method For Producing Esters Of Aromatic Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US claimed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO claimed
WO-2011000464-A2 CONTINUOUS METHOD FOR PRODUCING ESTERS OF AROMATIC CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2011-01-06 WO claimed
WO-2011000461-A2 CONTINUOUS METHOD FOR ACYLATING AMINO GROUP-CARRYING ORGANIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2011-01-06 WO claimed
US-20090130739-A1 Deactivation of mineral encapsulated nanobacteria AMERICAN STERILIZER COMPANY (US) 2009-05-21 US claimed
EP-0566780-B1 Heat-resistant resin composition KONISHI CO LTD (JP) 1998-03-11 EP claimed
EP-0566780-A1 Heat-resistant resin composition KONISHI CO., LTD. (JP) 1993-10-27 EP claimed
EP-4680706-A1 BIODEGRADABLE GREASE COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2026-01-21 EP disclosed
US-12005089-B2 CVS transplantation for treatment of bacterial vaginosis THE JOHNS HOPKINS UNIVERSITY (US) 2024-06-11 US disclosed
EP-3692121-B1 GREASE COMPOSITION SHELL INT RESEARCH (NL) 2023-07-19 EP disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
CN-110023464-B Grease composition 国际壳牌研究有限公司 2022-02-08 CN disclosed
US-11220650-B2 Grease composition SHELL OIL COMPANY (US) 2022-01-11 US disclosed
US-11198830-B2 Grease composition SHELL OIL COMPANY (US) 2021-12-14 US disclosed
EP-2785821-B1 GREASE COMPOSITION SHELL INT RESEARCH (NL) 2021-03-03 EP disclosed
EP-3692121-A1 GREASE COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2020-08-12 EP disclosed
EP-3548589-B1 GREASE COMPOSITION SHELL INT RESEARCH (NL) 2020-08-05 EP disclosed
US-20200231895-A1 GREASE COMPOSITION SHELL USA, INC. 2020-07-23 US disclosed
CN-110023464-A GREASE COMPOSITION 国际壳牌研究有限公司 2019-07-16 CN disclosed
WO-2019068589-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2019-04-11 WO disclosed
CN-109030589-A Four-β-carboxyphenoxy metal phthalocyanine/graphene composite material and method 黑龙江工程学院 2018-12-18 CN disclosed
US-10023689-B2 Functional biodegradable polymers THE UNIVERSITY OF AKRON 2018-07-17 US disclosed
WO-2017214146-A1 CVS TRANSPLANTATION FOR TREATMENT OF BACTERIAL VAGINOSIS THE JOHNS HOPKINS UNIVERSITY (US) 2017-12-14 WO disclosed
CN-104870620-B Lubricant composition 国际壳牌研究有限公司 2017-11-24 CN disclosed
EP-2935539-B1 GREASE COMPOSITION SHELL INT RESEARCH (NL) 2017-05-03 EP disclosed
WO-2017005412-A1 METHOD FOR SYNTHESISING ALIPHATIC AND AROMATIC AMIDES CLARIANT INTERNATIONAL LTD (CH) 2017-01-12 WO disclosed
CN-106047952-A Method for producing hydroxy methoxy benzoic acid by using microorganisms 青岛科技大学 2016-10-26 CN disclosed
US-20160279182-A1 CVS TRANSPLANTATION FOR TREATMENT OF BACTERIAL VAGINOSIS THE JOHNS HOPKINS UNIVERSITY 2016-09-29 US disclosed
EP-2452985-B1 METALLIC PIGMENT, METHOD FOR PRODUCING SAME, AND AQUEOUS METALLIC RESIN COMPOSITION CONTAINING SAME TOYO ALUMINIUM KK (JP) 2016-09-07 EP disclosed
US-20160229952-A1 FUNCTIONAL BIODEGRADABLE POLYMERS NATIONAL SCIENCE FOUNDATION 2016-08-11 US disclosed
US-9290715-B2 Grease composition SHELL OIL COMPANY (US) 2016-03-22 US disclosed
US-9221938-B2 Polymers carrying hydroxyl groups and ester groups and method for the production thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-12-29 US disclosed
US-20150315509-A1 GREASE COPOSITIONS SHELL OIL COMPANY 2015-11-05 US disclosed
EP-2935539-A1 GREASE COMPOSITION Shell Internationale Research Maatschappij B.V. (NL) 2015-10-28 EP disclosed
CN-103124759-B Functional biodegradable polymers UNIV AKRON 2015-03-25 CN disclosed
US-8926743-B2 Metal pigment, method for producing the same, and water base metallic resin composition including the same TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2015-01-06 US disclosed
EP-2448914-B1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS CLARIANT FINANCE BVI LTD (VG) 2014-11-26 EP disclosed
US-20140329730-A1 GREASE COMPOSITION SHELL USA, INC. 2014-11-06 US disclosed
WO-2014096258-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-06-26 WO disclosed
EP-2658881-A2 POLYMERS CARRYING HYDROXYL GROUPS AND ESTER GROUPS AND METHOD FOR THE PRODUCTION THEREOF Clariant Finance (BVI) Limited (VG) 2013-11-06 EP disclosed
US-20130184429-A1 FUNCTIONAL BIODEGRADABLE POLYMERS THE UNIVERSITY OF AKRON (US) 2013-07-18 US disclosed
EP-2598552-A1 FUNCTIONAL BIODEGRADABLE POLYMERS University Of Akron (US) 2013-06-05 EP disclosed
EP-2448913-B1 CONTINUOUS METHOD FOR ACYLATING AMINO GROUP-CARRYING ORGANIC ACIDS CLARIANT FINANCE BVI LTD (VG) 2013-04-24 EP disclosed
EP-2448904-B1 CONTINUOUS METHOD FOR PRODUCING ESTERS OF AROMATIC CARBOXYLIC ACIDS CLARIANT FINANCE BVI LTD (VG) 2013-04-17 EP disclosed
EP-2274271-B1 METHOD FOR PRODUCING AMIDES IN THE PRESENCE OF SUPERHEATED WATER CLARIANT FINANCE BVI LTD (VG) 2013-01-23 EP disclosed
WO-2012089298-A2 POLYMERS CARRYING HYDROXYL GROUPS AND ESTER GROUPS AND METHOD FOR THE PRODUCTION THEREOF CLARIANT INTERNATIONAL LTD (CH) 2012-07-05 WO disclosed
US-20120129998-A1 METAL PIGMENT, METHOD FOR PRODUCING THE SAME, AND WATER BASE METALLIC RESIN COMPOSITION INCLUDING THE SAME TOYO ALUMINIUM KABUSHIKI KAISHA (JP) 2012-05-24 US disclosed
EP-2452985-A1 METALLIC PIGMENT, METHOD FOR PRODUCING SAME, AND AQUEOUS METALLIC RESIN COMPOSITION CONTAINING SAME Toyo Aluminium Kabushiki Kaisha (JP) 2012-05-16 EP disclosed
EP-2448904-A2 CONTINUOUS METHOD FOR PRODUCING ESTERS OF AROMATIC CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2012-05-09 EP disclosed
EP-2448913-A2 CONTINUOUS METHOD FOR ACYLATING AMINO GROUP-CARRYING ORGANIC ACIDS Clariant Finance (BVI) Limited (VG) 2012-05-09 EP disclosed
EP-2448914-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2012-05-09 EP disclosed
US-20120095238-A1 Continuous Method For Producing Amides Of Aromatic Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-19 US disclosed
US-20120090983-A1 Continuous Method For Acylating Amino Group-Carrying Organic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-19 US disclosed
US-20120088918-A1 Continuous Method For Producing Esters Of Aromatic Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-12 US disclosed
WO-2012015481-A1 FUNCTIONAL BIODEGRADABLE POLYMERS UNIVERSITY OF AKRON (US) 2012-02-02 WO disclosed
US-20110089021-A1 Method For Producing Amides In The Presence Of Superheated Water CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-21 US disclosed
US-20110089019-A1 Continuous Method For Producing Amides of Aromatic Carboxylic Acids CLARIANT FINANCE (BVI) LIMITED (VG) 2011-04-21 US disclosed
EP-2274269-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
EP-2274271-A1 METHOD FOR PRODUCING AMIDES IN THE PRESENCE OF SUPERHEATED WATER Clariant Finance (BVI) Limited (VG) 2011-01-19 EP disclosed
WO-2011000459-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2011-01-06 WO disclosed
WO-2011000464-A2 CONTINUOUS METHOD FOR PRODUCING ESTERS OF AROMATIC CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2011-01-06 WO disclosed
WO-2011000461-A2 CONTINUOUS METHOD FOR ACYLATING AMINO GROUP-CARRYING ORGANIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2011-01-06 WO disclosed
WO-2009121484-A1 CONTINUOUS METHOD FOR PRODUCING AMIDES OF AROMATIC CARBOXYLIC ACIDS CLARIANT INTERNATIONAL LTD (CH) 2009-10-08 WO disclosed
WO-2009121488-A1 METHOD FOR PRODUCING AMIDES IN THE PRESENCE OF SUPERHEATED WATER CLARIANT INTERNATIONAL LTD (CH) 2009-10-08 WO disclosed
US-20090130739-A1 Deactivation of mineral encapsulated nanobacteria AMERICAN STERILIZER COMPANY (US) 2009-05-21 US disclosed
EP-1917043-A2 DEACTIVATION OF MINERAL ENCAPSULATED NANOBACTERIA Steris, Inc. (US) 2008-05-07 EP disclosed
WO-2007145608-A2 DEACTIVATION OF MINERAL ENCAPSULATED NANOBACTERIA STERIS, INC. (US) 2007-12-21 WO disclosed
US-20060270571-A1 Deactivation of mineral encapsulated nanobacteria AMERICAN STERILIZER COMPANY 2006-11-30 US disclosed
US-20060242892-A1 Additives for low-sulfur mineral oil distillates, comprising aromatics which bear a hydroxyl group, a methoxy group and an acid function CLARIANT PRODUKTE (DEUTSCHLAND) GMBH 2006-11-02 US disclosed
EP-1499893-A2 CHEMICALLY INERT MOLECULAR ALKANE OR OXAALKANE-TAGS AND THEIR IDENTIFICATION BY REACTION WITH FLUOROALKANOYL ACIDS PHARMACOPEIA, INC. (US) 2005-01-26 EP disclosed
US-20030215871-A1 Chemically inert molecular tags PHARMACOPEIA, INC. (US) 2003-11-20 US disclosed
WO-2003093823-A2 CHEMICALLY INERT MOLECULAR ALKANE OR OXAALKANE-TAGS AND THEIR IDENTIFICATION BY REACTION WITH FLUOROALKANOYL ACIDS PHARMACOPEIA INC. (US) 2003-11-13 WO disclosed
US-6531257-B2 Organic binder having an acid functional group, a copper powder with a surface layer of thickness .1 mu m and copper oxide as a main component, and a photosensitive organic component MURATA MANUFACTURING CO. LTD 2003-03-11 US disclosed
US-20020106577-A1 Photosensitive copper paste and method of forming copper pattern using the same MURATA MANUFACTURING CO., LTD. 2002-08-08 US disclosed
US-6399282-B1 Method for forming conductive pattern and producing ceramic multi-layer substrate MURATA MANUFACTURING CO., LTD. (JP) 2002-06-04 US disclosed
US-6315927-B1 USED FOR FORMING WIRING PATTERN OF A HIGH-FREQUENCY ELECTRONIC COMPONENT; STORAGE STABILITY MURATA MANUFACTURING CO., LTD. (JP) 2001-11-13 US disclosed
US-6183669-B1 Paste composition, circuit board using the same, ceramic green sheet, ceramic substrate, and method for manufacturing ceramic multilayer substrate MURATA MANUFACTURING CO., LTD. (JP) 2001-02-06 US disclosed
US-6156237-A Conductive paste and circuit substrate formed by use of the paste MURATA MANUFACTURING CO., LTD. (JP) 2000-12-05 US disclosed
EP-0566780-B1 Heat-resistant resin composition KONISHI CO LTD (JP) 1998-03-11 EP disclosed
EP-0566780-A1 Heat-resistant resin composition KONISHI CO., LTD. (JP) 1993-10-27 EP disclosed
EP-0566780-A1 Heat-resistant resin composition KONISHI CO., LTD. (JP) 1993-10-27 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 (1 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-20030215871-A1 Chemically inert molecular tags ALK, ADH1A, ADH1C ALDH1A1 20/4885KMT2A 405/4885PTK2B 1322/4885

“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.