SCHEMBL1152830

SCHEMBL1152830

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](N)CC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.44
SLC6A4 P31645 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
KIF11 P52732 7/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1152832 1.00 AOC3 (0.44) AOC3SLC6A4CYP17A1CYP3A4KIF11
SCHEMBL7103278 0.81 TAAR1 (0.46) AOC3CYP17A1CYP3A4KIF11ALDH1A1
SCHEMBL7674778 0.81 TAAR1 (0.46) AOC3CYP17A1CYP3A4KIF11ALDH1A1
SCHEMBL637387 0.81 SLC6A4 (0.44) AOC3SLC6A4KIF11MAOAMAOB
SCHEMBL1153082 0.81 KDM4E (0.40) SLC6A4KIF11MAOAMAOBALDH1A1
SCHEMBL1153085 0.81 KDM4E (0.40) SLC6A4KIF11MAOAMAOBALDH1A1
SCHEMBL1152748 0.80 CYP3A4 (0.48) AOC3SLC6A4CYP17A1CYP3A4KIF11
SCHEMBL1152745 0.80 CYP3A4 (0.48) AOC3SLC6A4CYP17A1CYP3A4KIF11
SCHEMBL1153877 0.79 CYP3A4 (0.47) AOC3SLC6A4CYP17A1CYP3A4KIF11
Hydrochloric Acid SCHEMBL29480448 0.79 CYP3A4 (0.47) AOC3SLC6A4CYP17A1CYP3A4KIF11

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 11 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
WO-2008074858-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-06-26 WO 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 AOC3 9/4885SLC6A4 3753/4885CYP17A1 793/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 AOC3 9/4885SLC6A4 3753/4885CYP17A1 793/4885
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 AOC3 389/4885SLC6A4 2470/4885CYP17A1 1618/4885

“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.