SCHEMBL1154065

SCHEMBL1154065

COc1ccccc1C(O)(c1ccccc1OC)[C@@H](CC(C)C)NC(=O)C1(C(=O)N[C@H](CC(C)C)C(O)(c2ccccc2OC)c2ccccc2OC)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ANPEP P15144 2/20 0.39
HCN1 O60741 1/20 0.37
HCN4 Q9Y3Q4 1/20 0.37
ITGA4 P13612 6/20 0.36
ITGB7 P26010 6/20 0.36
ITGB1 P05556 5/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LPAR1 Q92633 1/20 0.35
CASP1 P29466 1/20 0.35
CASP8 Q14790 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL1153771 0.99 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AANPEPHCN1
SCHEMBL1154343 0.97 ANPEP (0.39) L3MBTL1MEN1KMT2AANPEPITGA4
SCHEMBL1153168 0.94 ANPEP (0.41) L3MBTL1MEN1KMT2AANPEPGAA
SCHEMBL1154269 0.87 ITGA4 (0.43) ITGA4ITGB7ITGB1GAAALDH1A1
SCHEMBL1153096 0.86 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AHCN1HCN4
SCHEMBL1152980 0.86 ITGA4 (0.44) ITGA4ITGB7ITGB1GAAALDH1A1
SCHEMBL1153935 0.85 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AITGA4ITGB7
SCHEMBL1153533 0.84 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AHCN1HCN4
SCHEMBL1153052 0.83 ITGA4 (0.42) ITGA4ITGB7ITGB1GAAALDH1A1
SCHEMBL1154113 0.83 L3MBTL1 (0.39) L3MBTL1MEN1KMT2AITGA4ITGB7

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 L3MBTL1 3539/4885MEN1 3372/4885KMT2A 3425/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 L3MBTL1 3539/4885MEN1 3372/4885KMT2A 3425/4885

“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.