SCHEMBL713330

SCHEMBL713330

CCC(CC)CN(C(C)C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 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
SCHEMBL26194061 0.84 ALDH1A1 (0.34) TSHR
SCHEMBL21146102 0.82
SCHEMBL627811 0.80 ALDH1A1 (0.52) TSHR
SCHEMBL799639 0.75 MEN1 (0.35) MEN1KMT2ATSHR
SCHEMBL358641 0.73
SCHEMBL12371957 0.73
SCHEMBL17426947 0.73 TSHR (0.37) MEN1KMT2ATSHR
SCHEMBL22215204 0.71 TSHR (0.40) MEN1KMT2ATSHR
SCHEMBL303817 0.69 MEN1 (0.40) MEN1KMT2A
SCHEMBL868378 0.69

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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071575-B1 PREPARATION OF NORMORPHINANS SpecGx LLC (US) 2019-11-13 EP claimed
US-10246481-B2 Bile acid derivatives and methods for synthesis and use CITY OF HOPE (US) 2019-04-02 US claimed
US-20180319836-A1 BILE ACID DERIVATIVES AND METHODS FOR SYNTHESIS AND USE HOPE CITY (US) 2018-11-08 US claimed
US-20170233431-A1 BILE ACID DERIVATIVES AND METHODS FOR SYNTHESIS AND USE HOPE CITY (US) 2017-08-17 US claimed
EP-3071575-A1 PREPARATION OF NORMORPHINANS Mallinckrodt LLC (US) 2016-09-28 EP claimed
US-9127009-B2 Preparation of normorphinans MALLINCKRODT LLC 2015-09-08 US claimed
WO-2015074049-A1 PREPARATION OF NORMORPHINANS MALLINCKRODT LLC (US) 2015-05-21 WO claimed
US-20150141649-A1 PREPARATION OF NORMORPHINANS VTESSE LLC 2015-05-21 US claimed
CN-102869696-B Hybrid polyester-polyether polyols DOW GLOBAL TECHNOLOGIES LLC 2015-02-04 CN claimed
US-20140206657-A1 BILE ACID ANALOG TGR5 AGONISTS CITY OF HOPE (US) 2014-07-24 US claimed
US-8491790-B2 Method for the direct elution of reactive 18F fluoride from an anion exchange resin in an organic medium suitable for radiolabelling without any evaporation step by the use of strong organic bases TRASIS S.A. (BE) 2013-07-23 US claimed
EP-2164590-B1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES TRASIS S A (BE) 2013-03-06 EP claimed
EP-2563834-A1 HYBRID POLYESTER-POLYETHER POLYOLS Dow Global Technologies LLC (US) 2013-03-06 EP claimed
US-20130035467-A1 HYBRID POLYESTER-POLYETHER POLYOLS DOW EUROPE GMBH (CH) 2013-02-07 US claimed
CN-102869696-A Hybrid polyester-polyether polyols DOW GLOBAL TECHNOLOGIES LLC 2013-01-09 CN claimed
WO-2011137011-A1 HYBRID POLYESTER-POLYETHER POLYOLS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-03 WO claimed
US-20100196254-A1 METHOD FOR THE DIRECT ELUTION OF REACTIVE 18F FLUORIDE FROM AN ANION EXCHANGE RESIN IN AN ORGANIC MEDIUM SUITABLE FOR RADIOLABELLING WITHOUT ANY EVAPORATION STEP BY THE USE OF STRONG ORGANIC BASES TRASIS S.A. (BE) 2010-08-05 US claimed
EP-2062630-A1 Method for the direct elution of reactive 18F fluoride from an anion exchange resin in an organic medium by the use of strong organic bases Trasis S.A. (BE) 2009-05-27 EP claimed
US-20090087753-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL, PRODUCTION PROCESS THEREFOR, AND RECORDED MATERIAL TOAGOSEI CO., LTD. (JP) 2009-04-02 US claimed
EP-1906265-A1 VOLUME PHASE HOLOGRAM RECORDING MATERIAL, PROCESS FOR PRODUCING THE SAME, AND RECORDED MATERIAL TOAGOSEI CO., LTD. (JP) 2008-04-02 EP claimed

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

For each of this compound's patents that has machine-readable text (5 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-20150141649-A1 PREPARATION OF NORMORPHINANS OPRL1, APLNR, OPRM1 MEN1 590/4885KMT2A 2337/4885TSHR 975/4885
US-20170233431-A1 BILE ACID DERIVATIVES AND METHODS FOR SYNTHESIS AND USE NR1H4, GPBAR1, SLC10A1 MEN1 4390/4885KMT2A 4246/4885TSHR 669/4885
US-10246481-B2 Bile acid derivatives and methods for synthesis and use NR1H4, GPBAR1, SLC10A1 MEN1 4390/4885KMT2A 4246/4885TSHR 669/4885
US-20140206657-A1 BILE ACID ANALOG TGR5 AGONISTS GPBAR1, NR1H4, SLC10A1 MEN1 4352/4885KMT2A 4521/4885TSHR 128/4885
US-20180319836-A1 BILE ACID DERIVATIVES AND METHODS FOR SYNTHESIS AND USE NR1H4, GPBAR1, SLC10A1 MEN1 4390/4885KMT2A 4246/4885TSHR 669/4885

“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.