SCHEMBL1153829

SCHEMBL1153829

COc1ccccc1C(O)(c1ccccc1OC)[C@H](N)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.42
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.38
ANPEP P15144 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 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
SCHEMBL1153831 1.00 LNPEP (0.42) LNPEPHTTMEN1KMT2AHPGD
SCHEMBL295990 0.84 HTT (0.41) HTTMEN1KMT2AGAACA12
SCHEMBL294805 0.82 CA1 (0.43) HTTMEN1KMT2AGAACA12
SCHEMBL294227 0.82 CA1 (0.43) HTTMEN1KMT2AGAACA12
SCHEMBL1153708 0.80 KDM4E (0.55) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL295340 0.80 KDM4E (0.55) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL11161210 0.80 KDM4E (0.55) HTTMEN1KMT2AGAAALDH1A1
SCHEMBL7680886 0.79 LNPEP (0.41) LNPEPANPEP
SCHEMBL1153615 0.79 CA1 (0.40) HTTMEN1KMT2AGAACA12
SCHEMBL7106018 0.79 LNPEP (0.41) LNPEPANPEP

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 10 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-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 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
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP 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
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US 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 (3 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 LNPEP 3841/4885HTT 3621/4885MEN1 3372/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 LNPEP 3841/4885HTT 3621/4885MEN1 3372/4885
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 LNPEP 2131/4885HTT 3297/4885MEN1 1168/4885

“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.