SCHEMBL1154006

SCHEMBL1154006

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](Cc2ccccc2)N(C(=O)C2(C(N)=O)CCC2)[C@H](Cc2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
ATM Q13315 1/20 0.38
CHRM3 P20309 3/20 0.38
KIF11 P52732 3/20 0.36
LDHA P00338 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FPR2 P25090 1/20 0.35

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
SCHEMBL1154131 0.98 PPARG (0.40) PPARGPPARAOPRM1OPRD1ATM
SCHEMBL1153736 0.97 PPARG (0.39) PPARGPPARAOPRM1OPRD1ATM
SCHEMBL1152952 0.96 PPARG (0.41) PPARGPPARAOPRM1OPRD1ATM
SCHEMBL1153247 0.90 KDM4E (0.42) PPARGPPARAMAPK1
SCHEMBL1153602 0.89 KIF11 (0.37) PPARGPPARAATMCHRM3KIF11
SCHEMBL1153289 0.87 KDM4E (0.42) PPARGPPARAKIF11MAPK1
SCHEMBL1153526 0.87 KIF11 (0.37) PPARGPPARAATMCHRM3KIF11
SCHEMBL1153494 0.86 KDM4E (0.41) MAPK1
SCHEMBL1153372 0.86 KIF11 (0.36) PPARGPPARAATMCHRM3KIF11
SCHEMBL1153236 0.85 KDM4E (0.43) PPARGPPARAKIF11MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US 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

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

For each of this compound's patents that has machine-readable text (2 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 PPARG 2997/4885PPARA 2393/4885OPRM1 2137/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 PPARG 2997/4885PPARA 2393/4885OPRM1 2137/4885

“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.