SCHEMBL1153710

SCHEMBL1153710

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.35
MC4R P32245 4/20 0.35
AOC3 Q16853 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ANPEP P15144 1/20 0.33
GPR88 Q9GZN0 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
KIF11 P52732 1/20 0.33
ALOX5 P09917 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL1153267 0.96 MC4R (0.34) OPRK1MC4RAOC3TAS1R3TAS1R1
SCHEMBL1154114 0.96 MC4R (0.34) OPRK1MC4RAOC3TAS1R3TAS1R1
SCHEMBL1153209 0.95 SLC6A4 (0.35) MC4RAOC3
SCHEMBL1153987 0.87 OPRK1 (0.37) OPRK1MC4RANPEPGPR88KIF11
SCHEMBL1153442 0.86 OPRK1 (0.45) OPRK1CYP2D6CYP1A2
SCHEMBL1153061 0.85 OPRK1 (0.36) OPRK1AOC3KIF11ALOX5CA1
SCHEMBL1152952 0.84 PPARG (0.41) OPRK1MAPK1KIF11
SCHEMBL1153591 0.83 OPRK1 (0.34) OPRK1
SCHEMBL1153014 0.83 OPRK1 (0.34) OPRK1
SCHEMBL1153734 0.83 OPRK1 (0.35) OPRK1AOC3KIF11ALOX5CA1

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 1341/4885MC4R 2911/4885AOC3 9/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885MC4R 2911/4885AOC3 9/4885

“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.