SCHEMBL1153713

SCHEMBL1153713

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
EPHX1 P07099 1/20 0.50
ANPEP P15144 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
SLC6A2 P23975 3/20 0.47
TAAR1 Q96RJ0 3/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP1A2 P05177 1/20 0.45

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
SCHEMBL1153711 1.00 KDM4E (0.59) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL475673 1.00 KDM4E (0.59) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL7420164 0.91 KDM4E (0.51) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL6579394 0.84 HTR2A (0.53) KDM4ELMNAMAPK1SIGMAR1CYP2A6
SCHEMBL6579390 0.84 HTR2A (0.53) KDM4ELMNAMAPK1SIGMAR1CYP2A6
Hydrochloric Acid SCHEMBL29101369 0.82 KDM4E (0.58) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153707 0.82 KDM4E (0.58) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153705 0.82 KDM4E (0.58) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL5675489 0.81 KDM4E (0.66) KDM4ELMNAMAPK1EPHX1ANPEP
SCHEMBL1153513 0.79 LNPEP (0.44) KDM4ELMNAMAPK1ANPEPSLC6A2

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
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US claimed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP claimed
CN-101970572-B Photocurable composition SEKISUI CHEMICAL CO LTD 2014-01-29 CN 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-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 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
CN-100436406-C Process for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL CO (JP) 2008-11-26 CN 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
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A KDM4E 1456/4885LMNA 3013/4885MAPK1 4691/4885
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 KDM4E 2464/4885LMNA 193/4885MAPK1 1770/4885

“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.