SCHEMBL1153283

SCHEMBL1153283

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](C)N(C(=O)C2(C(N)=O)CCCC2)[C@H](C)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALOX5 P09917 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 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
POLB P06746 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1152978 0.99 SLC6A4 (0.39) SLC6A4SLC6A3ALOX5CYP17A1CYP3A4
SCHEMBL1153240 0.98 ALOX5 (0.34) SLC6A4SLC6A3ALOX5CA1CA2
SCHEMBL1153061 0.95 OPRK1 (0.36) ALOX5CA1CA2PARP1PARP10
SCHEMBL1153505 0.88 SLC6A4 (0.35) SLC6A4SLC6A3ALOX5CA1CA2
SCHEMBL1152920 0.87 SLC6A4 (0.37) SLC6A4SLC6A3ALOX5AOC3CYP17A1
SCHEMBL1153034 0.86 OPRK1 (0.34) ALOX5OPRK1
SCHEMBL1153827 0.86 ALOX5 (0.33) SLC6A4SLC6A3ALOX5CA1CA2
SCHEMBL1153089 0.86 AOC3 (0.35) SLC6A4SLC6A3CA1CA2PARP1
SCHEMBL1154114 0.85 MC4R (0.34) SLC6A4SLC6A3AOC3POLBOPRK1
SCHEMBL1153133 0.85 OPRK1 (0.34) ALOX5OPRK1

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 SLC6A4 3753/4885SLC6A3 4072/4885ALOX5 928/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 SLC6A4 3753/4885SLC6A3 4072/4885ALOX5 928/4885

“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.