SCHEMBL1153063

SCHEMBL1153063

COc1ccc(C(O)(c2ccc(OC)cc2)[C@@H](c2ccccc2)N(C(=O)C2(C(N)=O)CCC2)[C@H](c2ccccc2)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.39
ACP3 P15309 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
KIF11 P52732 4/20 0.37
EPHX1 P07099 1/20 0.37
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRL1 P41146 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1153404 0.98 OPRK1 (0.39) OPRK1ACP3MEN1KMT2AALDH1A1
SCHEMBL1153417 0.97 MEN1 (0.39) OPRK1ACP3MEN1KMT2AALDH1A1
SCHEMBL1154052 0.96 OPRK1 (0.43) OPRK1ACP3MEN1KMT2AALDH1A1
SCHEMBL1154229 0.90 OPRK1 (0.41) OPRK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1153207 0.88 OPRK1 (0.41) OPRK1ALDH1A1LMNASMN1; SMN2KIF11
SCHEMBL1154266 0.87 OPRK1 (0.41) OPRK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1152968 0.86 OPRK1 (0.41) OPRK1MEN1KMT2AALDH1A1LMNA
SCHEMBL1154177 0.85 OPRK1 (0.41) OPRK1ALDH1A1LMNASMN1; SMN2KIF11
SCHEMBL1153377 0.85 OPRK1 (0.46) OPRK1KMT2AALDH1A1LMNAEPHX1
SCHEMBL1153896 0.84 OPRK1 (0.40) OPRK1MEN1KMT2AALDH1A1LMNA

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 1341/4885ACP3 4684/4885MEN1 3372/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 OPRK1 1341/4885ACP3 4684/4885MEN1 3372/4885

“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.