SCHEMBL1055834

SCHEMBL1055834

COc1cccc(C(O)C#N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.55
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL27721078 1.00 AOC3 (0.55) AOC3TSHRL3MBTL1PDE4APDE4B
SCHEMBL11241604 0.94 AOC3 (0.50) AOC3TSHRL3MBTL1PDE4APDE4B
SCHEMBL8125387 0.83 TSHR (0.48) AOC3TSHRL3MBTL1KMT2ANPC1
SCHEMBL2155273 0.82 AOC3 (0.51) AOC3TSHRL3MBTL1CES2CES1
SCHEMBL7442599 0.82 L3MBTL1 (0.54) AOC3TSHRL3MBTL1CES2CES1
SCHEMBL17466002 0.81 ALDH1A1 (0.48) AOC3L3MBTL1PDE4APDE4BPDE4C
SCHEMBL15617614 0.81 AOC3 (0.48) AOC3L3MBTL1PDE4APDE4BPDE4C
SCHEMBL11854342 0.81 ALDH1A1 (0.46) AOC3TSHRPDE4APDE4BPDE4C
SCHEMBL192456 0.81 TSHR (0.60) TSHRKMT2ANPC1
SCHEMBL30045078 0.81 TSHR (0.60) TSHRKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007095-B Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO.,LTD. (JP) 2014-10-08 CN disclosed
US-8309753-B2 Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-7985572-B2 Modified nitrilases and their use in methods for the production of carboxylic acids BASF SE (DE) 2011-07-26 US disclosed
CN-102007095-A Method for producing optically active cyanohydrin compound SUMITOMO CHEMICAL CO 2011-04-06 CN disclosed
US-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-10 US disclosed
US-7872014-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-01-18 US disclosed
EP-2264005-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-12-22 EP disclosed
EP-1599584-B1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF SE (DE) 2009-07-01 EP disclosed
EP-1648455-A4 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-03-04 EP disclosed
CN-101238092-A Process for production of 2-hydroxy esters NIPPOH CHEMICALS (JP) 2008-08-06 CN disclosed
WO-2004076655-A1 MODIFIED NITRILASES AND THEIR USE IN METHODS FOR THE PRODUCTION OF CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO disclosed
EP-0561637-B1 A catalyst for asymmetric induction SUMITOMO CHEMICAL CO (JP) 1997-02-26 EP disclosed
EP-0505089-B1 A catalyst for asymmetric induction SUMITOMO CHEMICAL CO (JP) 1994-12-14 EP disclosed
US-5308820-A Catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-05-03 US disclosed
US-5288682-A Catalyst for asymmetric induction SUMITOMO CHEMICAL CO., LTD. (JP) 1994-02-22 US disclosed
EP-0561637-A2 A catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-09-22 EP disclosed
EP-0505089-A1 A catalyst for asymmetric induction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-23 EP disclosed
EP-0276375-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ALPHA-HYDROXYNITRILES Degussa Aktiengesellschaft (DE) 1992-05-06 EP disclosed
EP-0276375-A2 Process for the preparation of optically active alpha-hydroxynitriles Degussa Aktiengesellschaft (DE) 1988-08-03 EP disclosed
US-3937719-A (4-OXO-4H-1-BENZOPYRAN-2-YL)-OXAMIC ACID, SALTS AND ESTERS ANTI-ALLERGIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US 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-20110034718-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYANOHYDRIN COMPOUND CBR3, ACSL3, CCNL2 AOC3 674/4885TSHR 4501/4885L3MBTL1 430/4885

“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.