SCHEMBL1154052

SCHEMBL1154052

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](c2ccccc2)N(C(=O)C2(C(N)=O)CC2)[C@H](c2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.43
ACP3 P15309 1/20 0.39
KIF11 P52732 4/20 0.38
EPHX1 P07099 1/20 0.38
CYP3A4 P08684 2/20 0.37
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1153404 0.96 OPRK1 (0.39) OPRK1ACP3KIF11EPHX1CYP3A4
SCHEMBL1153063 0.96 OPRK1 (0.39) OPRK1ACP3KIF11EPHX1CYP3A4
SCHEMBL1153417 0.95 MEN1 (0.39) OPRK1ACP3KIF11EPHX1CYP3A4
SCHEMBL1153377 0.89 OPRK1 (0.46) OPRK1EPHX1CYP3A4CYP2D6CYP2C9
SCHEMBL1152480 0.87 OPRK1 (0.45) OPRK1KIF11OPRM1OPRD1OPRL1
SCHEMBL1154266 0.84 OPRK1 (0.41) OPRK1EPHX1CYP3A4CYP2D6CYP2C9
SCHEMBL1154229 0.84 OPRK1 (0.41) OPRK1EPHX1CYP3A4CYP2D6CYP2C9
SCHEMBL1153061 0.83 OPRK1 (0.36) OPRK1KIF11CYP3A4OPRM1OPRL1
SCHEMBL1152968 0.83 OPRK1 (0.41) OPRK1KIF11EPHX1CYP3A4CYP2D6
SCHEMBL1153347 0.83 OPRK1 (0.42) OPRK1MEN1KMT2AHTTOPRM1

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 OPRK1 1341/4885ACP3 4684/4885KIF11 2448/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885ACP3 4684/4885KIF11 2448/4885

“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.