SCHEMBL1154050

SCHEMBL1154050

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C2(C(=O)N[C@H](c3ccccc3)C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)CC2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.42
ACP3 P15309 1/20 0.42
KMT2A Q03164 3/20 0.41
ATM Q13315 1/20 0.41
CASR P41180 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
CNR2 P34972 1/20 0.40
CTSL P07711 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
GPR88 Q9GZN0 1/20 0.39

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
SCHEMBL1153060 0.95 ALDH1A1 (0.41) ALDH1A1CYP3A4GAAACP3KMT2A
SCHEMBL1153400 0.95 ALDH1A1 (0.41) ALDH1A1CYP3A4GAAACP3KMT2A
SCHEMBL1153416 0.94 FAAH (0.41) ALDH1A1CYP3A4GAAACP3KMT2A
SCHEMBL1153374 0.87 LMNA (0.39) ALDH1A1HTTCNR2
SCHEMBL1152478 0.86 LMNA (0.45) ALDH1A1KMT2AATMMEN1HTT
SCHEMBL4344856 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4GAAACP3KMT2A
SCHEMBL4346035 0.82 CNR2 (0.49) ALDH1A1CYP3A4GAAKMT2AATM
SCHEMBL1154227 0.82 LMNA (0.37) ALDH1A1HTTCNR2
SCHEMBL1154265 0.82 LMNA (0.37) ALDH1A1KMT2AHTTCNR2
SCHEMBL1154175 0.81 LMNA (0.43) ALDH1A1KMT2AMEN1TP53

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 ALDH1A1 610/4885CYP3A4 29/4885GAA 3726/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885CYP3A4 29/4885GAA 3726/4885

“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.