SCHEMBL1153086

SCHEMBL1153086

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)C2(C(=O)N[C@H](C(C)(C)C)C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)CCCC2)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
EPHX2 P34913 1/20 0.37
RAB9A P51151 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL1153757 0.99 MAPT (0.38) MAPTALDH1A1KDM4EMAPK1NPSR1
SCHEMBL1152414 0.97 MAPT (0.39) MAPTALDH1A1KDM4EMAPK1NPSR1
SCHEMBL1152376 0.95 MAPT (0.40) MAPTALDH1A1KDM4EMAPK1NPSR1
SCHEMBL1153294 0.86 MAPT (0.34) MAPTALDH1A1KDM4ENPSR1MEN1
SCHEMBL1153502 0.85 ALDH1A1 (0.39) MAPTALDH1A1KDM4EMAPK1MEN1
SCHEMBL1153280 0.85 ALDH1A1 (0.41) MAPTALDH1A1KDM4EMAPK1MEN1
SCHEMBL1154187 0.85 MEN1 (0.34) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1153357 0.84 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL1152917 0.84 ALDH1A1 (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1152975 0.84 ALDH1A1 (0.40) MAPTALDH1A1KDM4EMEN1KMT2A

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 MAPT 4172/4885ALDH1A1 610/4885KDM4E 3354/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 MAPT 4172/4885ALDH1A1 610/4885KDM4E 3354/4885

“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.