SCHEMBL1153827

SCHEMBL1153827

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](C(C)C)N(C(=O)C2(C(N)=O)CCC2)[C@H](C(C)C)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
AOC3 Q16853 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PARP1 P09874 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP4 Q9UKK3 1/20 0.33
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PIK3CA P42336 1/20 0.32
OPRK1 P41145 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL1153505 0.98 SLC6A4 (0.35) ALOX5CYP17A1CYP3A4SLC6A4SLC6A3
SCHEMBL1152920 0.97 SLC6A4 (0.37) ALOX5CYP17A1CYP3A4SLC6A4SLC6A3
SCHEMBL1153734 0.95 OPRK1 (0.35) ALOX5CYP17A1CYP3A4AOC3CA1
SCHEMBL1153240 0.88 ALOX5 (0.34) ALOX5CYP17A1CYP3A4SLC6A4SLC6A3
SCHEMBL1153130 0.87 OPRK1 (0.33) ALOX5OPRK1HPGD
SCHEMBL1152417 0.86 AOC3 (0.35) AOC3CA1CA2PARP1PARP10
SCHEMBL1153283 0.86 SLC6A4 (0.36) ALOX5CYP17A1CYP3A4SLC6A4SLC6A3
SCHEMBL1152862 0.86 OPRK1 (0.41) ALDH1A1OPRK1HPGD
SCHEMBL1152978 0.85 SLC6A4 (0.39) ALOX5CYP17A1CYP3A4SLC6A4SLC6A3
SCHEMBL1153386 0.85 OPRK1 (0.33) ALOX5OPRK1HPGD

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 ALOX5 928/4885CYP17A1 793/4885CYP3A4 29/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALOX5 928/4885CYP17A1 793/4885CYP3A4 29/4885

“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.