SCHEMBL1152858

SCHEMBL1152858

COc1ccc(C(O)(c2ccc(OC)cc2)C(N)C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
CYP3A4 P08684 2/20 0.42
CYP17A1 P05093 1/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HSD11B1 P28845 1/20 0.41
KIF11 P52732 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1152852 1.00 AOC3 (0.47) AOC3CYP3A4CYP17A1MAPTCA1
SCHEMBL1153873 0.83 CYP3A4 (0.47) AOC3CYP3A4CYP17A1MAPTCA1
SCHEMBL1153877 0.83 CYP3A4 (0.47) AOC3CYP3A4CYP17A1MAPTCA1
SCHEMBL1152745 0.81 CYP3A4 (0.48) AOC3CYP3A4CYP17A1MAPTCA1
SCHEMBL1152748 0.81 CYP3A4 (0.48) AOC3CYP3A4CYP17A1MAPTCA1
SCHEMBL7105367 0.80 TAAR1 (0.42) AOC3CYP3A4MAPTCA1CA2
SCHEMBL7674574 0.80 TAAR1 (0.42) AOC3CYP3A4MAPTCA1CA2
Hydrochloric Acid SCHEMBL29480448 0.79 CYP3A4 (0.47) AOC3CYP3A4CYP17A1MAPTCA1
SCHEMBL1153150 0.79 TSHR (0.44) MAPTCA1CA2CA9KIF11
SCHEMBL1153154 0.79 TSHR (0.44) MAPTCA1CA2CA9KIF11

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958940-B1 CONDENSATION REACTION BY METAL CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2013-06-26 EP disclosed
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST MASHIMA KAZUSHI 2011-04-28 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-7888513-B2 Condensation reaction by metal catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-15 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-20090198070-A1 Condensation Reaction by Metal Catalyst OSAKA UNIVERSITY (JP) 2009-08-06 US disclosed
EP-1958940-A1 CONDENSATION REACTION BY METAL CATALYST Takasago International Corporation (JP) 2008-08-20 EP 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-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 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 (5 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 9/4885CYP3A4 29/4885CYP17A1 793/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 AOC3 9/4885CYP3A4 29/4885CYP17A1 793/4885
US-20110098479-A1 CONDENSATION REACTION BY METAL CATALYST C9, CBR3, C1R AOC3 81/4885CYP3A4 455/4885CYP17A1 686/4885
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 389/4885CYP3A4 871/4885CYP17A1 1618/4885
US-20090198070-A1 Condensation Reaction by Metal Catalyst C9, CBR3, C1R AOC3 81/4885CYP3A4 455/4885CYP17A1 686/4885

“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.