SCHEMBL1153734

SCHEMBL1153734

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](C(C)C)N(C(=O)C2(C(N)=O)CC2)[C@H](C(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
ALOX5 P09917 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP1 P09874 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PARP4 Q9UKK3 1/20 0.34
AOC3 Q16853 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL1153827 0.95 ALOX5 (0.33) OPRK1ALOX5CA1CA2PARP10
SCHEMBL1153505 0.95 SLC6A4 (0.35) OPRK1ALOX5CA1CA2PARP10
SCHEMBL1152920 0.94 SLC6A4 (0.37) ALOX5AOC3CYP17A1CYP3A4ALDH1A1
SCHEMBL1153061 0.88 OPRK1 (0.36) OPRK1ALOX5CA1CA2PARP10
SCHEMBL1153002 0.86 OPRK1 (0.37) OPRK1ALOX5
SCHEMBL1152378 0.86 AOC3 (0.36) OPRK1ALOX5CA1CA2PARP10
SCHEMBL1153801 0.85 OPRK1 (0.45) OPRK1ALOX5ALDH1A1MAPT
SCHEMBL1153283 0.83 SLC6A4 (0.36) OPRK1ALOX5CA1CA2PARP10
SCHEMBL1153240 0.83 ALOX5 (0.34) OPRK1ALOX5CA1CA2PARP10
SCHEMBL1153710 0.83 OPRK1 (0.35) OPRK1ALOX5CA1CA2AOC3

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 1341/4885ALOX5 928/4885CA1 3774/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885ALOX5 928/4885CA1 3774/4885

“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.