SCHEMBL1153631

SCHEMBL1153631

NC(c1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
FDPS P14324 1/20 0.41
KCNA5 P22460 1/20 0.41
EPHX1 P07099 2/20 0.40
ANPEP P15144 1/20 0.39
DPP4 P27487 2/20 0.39
F2 P00734 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL1153628 1.00 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1661703 0.81 SLC6A2 (0.44) SLC6A2
SCHEMBL809100 0.81 SLC6A2 (0.44) SLC6A2
SCHEMBL607846 0.78 TRPA1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1152085 0.78 TRPA1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1154331 0.78 LMNA (0.43) HIF1AKDM4ELMNAKCNA5DPP4
SCHEMBL28819443 0.78 TAAR1 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1EPHX1
SCHEMBL1154332 0.78 LMNA (0.43) HIF1AKDM4ELMNAKCNA5DPP4
SCHEMBL3069512 0.78 LMNA (0.43) HIF1AKDM4ELMNAKCNA5DPP4
SCHEMBL27935294 0.77 SMN1; SMN2 (0.40) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP disclosed
CN-100408553-C Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the same SUMITOMO CHEMICAL CO (JP) 2008-08-06 CN disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
CN-1898196-A Process for producing optically active cycloalkylidenebisoxazoline compound and intermediate of the compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
CN-1898193-A Method for producing optically active bisamidealcohol compound SUMITOMO CHEMICAL CO (JP) 2007-01-17 CN disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 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 (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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 CYP1A2 21/4885CYP2C9 24/4885CYP2C19 34/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 CYP1A2 21/4885CYP2C9 24/4885CYP2C19 34/4885
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R CYP1A2 379/4885CYP2C9 672/4885CYP2C19 554/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 CYP1A2 791/4885CYP2C9 1613/4885CYP2C19 1911/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R CYP1A2 379/4885CYP2C9 672/4885CYP2C19 554/4885

“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.