SCHEMBL1153801

SCHEMBL1153801

CC(C)[C@@H](N(C(=O)C1(C(N)=O)CC1)[C@H](C(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.45
CYP2D6 P10635 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
KCNA5 P22460 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SLC6A2 P23975 1/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
OPRL1 P41146 1/20 0.32
CYP2C9 P11712 1/20 0.32
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
LMNA P02545 2/20 0.32
KCNH2 Q12809 1/20 0.32
ALOX5 P09917 1/20 0.31

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
SCHEMBL1152862 0.95 OPRK1 (0.41) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1154105 0.95 OPRK1 (0.41) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1153488 0.94 OPRK1 (0.40) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1153002 0.88 OPRK1 (0.37) OPRK1ALOX5
SCHEMBL1153962 0.86 OPRK1 (0.46) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1153734 0.85 OPRK1 (0.35) OPRK1ALDH1A1MAPTALOX5
SCHEMBL1152606 0.84 OPRK1 (0.45) OPRK1CYP2D6ALDH1A1CYP2C19HSD17B10
SCHEMBL1153386 0.84 OPRK1 (0.33) OPRK1ALOX5
SCHEMBL1153130 0.84 OPRK1 (0.33) OPRK1ALOX5
SCHEMBL1153234 0.83 OPRK1 (0.33) OPRK1ALOX5

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 1341/4885CYP2D6 60/4885ALDH1A1 610/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885CYP2D6 60/4885ALDH1A1 610/4885

“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.