SCHEMBL1465852

SCHEMBL1465852

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KIF11 P52732 3/20 0.49
KCNH2 Q12809 1/20 0.49
TAAR1 Q96RJ0 1/20 0.48
TDP1 Q9NUW8 4/20 0.46
MAPK1 P28482 3/20 0.46
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAOB P27338 2/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL1465632 0.80 ALDH1A1 (0.48) CA1CA2KIF11KCNH2TAAR1
SCHEMBL989033 0.80 TAAR1 (0.56) CA1CA2CA12CA7CA9
Hydrochloric Acid SCHEMBL8506781 0.78 TAAR1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL3152160 0.78 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL15552915 0.78 KIF11 (0.53) CA1CA2CA7CA9KIF11
SCHEMBL6456115 0.78 SLC6A4 (0.43) CA1CA2CA12CA7CA9
SCHEMBL5187903 0.77 AOC3 (0.64) CA1CA2CA12CA7CA9
SCHEMBL8508653 0.77 KIF11 (0.45) CA1CA2CA12CA7CA9
SCHEMBL7043985 0.76 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL3799108 0.76 CA1 (0.55) CA1CA2CA12CA7CA9

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US claimed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP claimed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO claimed
CN-112663168-B Spandex fiber with reversible shape memory effect and preparation method and application thereof 五邑大学 2022-07-19 CN disclosed
CN-112962165-B Spandex fiber with reversible three-shape memory effect and preparation method and application thereof 五邑大学 2022-07-05 CN disclosed
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN KYOWA PHARMA CHEMICAL CO., LTD. (JP) 2022-06-02 US disclosed
EP-3950672-A1 METHOD FOR PRODUCING PKROSTAGLANDIN Kyowa Pharma Chemical Co., Ltd. (JP) 2022-02-09 EP disclosed
CN-112962165-A Spandex fiber with reversible three-shape memory effect and preparation method and application thereof 五邑大学 2021-06-15 CN disclosed
CN-112663168-A Spandex fiber with reversible shape memory effect and preparation method and application thereof 五邑大学 2021-04-16 CN disclosed
US-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions THE TEXAS A&M UNIVERSITY SYSTEM (US) 2019-01-29 US disclosed
CN-101730656-B Method for the production of hydrogen from ammonia borane 卡娜塔化学技术股份有限公司 2017-05-03 CN disclosed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO disclosed
WO-2008141439-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2008-11-27 WO disclosed
EP-1765833-A2 NEWS SALTS IN THE PREPARATION OF CEPHALOSPORIN ANTIBIOTICS Orchid Chemicals and Pharmaceuticals Limited (IN) 2007-03-28 EP disclosed
WO-2006006040-A2 NEWS DIAMINE SALTS OF CEPHALOSPORIN ANTIBIOTICS AND THEIR PREPARATION ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-19 WO disclosed
US-6878838-B2 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-04-12 US disclosed
WO-2004084834-A2 CHIRAL POROUS METAL PHOSPHONATES FOR HETEROGENEOUS ASYMMETRIC CATALYSIS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-10-07 WO disclosed
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis NORTH CAROLINA AT CHAPEL HILL, UNIVERSITY OF, THE 2004-09-30 US disclosed
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-03-06 US disclosed
EP-1254885-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE SECONDARY ALCOHOLS HAVING NITROGENOUS OR OXYGENIC FUNCTIONAL GROUPS Asahi Kasei Kabushiki Kaisha (JP) 2002-11-06 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 (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-10189871-B2 Transition metal complexes for enantioselective catalysis of carbon-carbon, carbon-heteroatom, and carbon-hydrogen bond forming reactions SOD1, YWHAZ, L1CAM CA1 161/4885CA2 172/4885CA12 452/4885
US-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 CA1 2612/4885CA2 1309/4885CA12 4438/4885
US-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C CA1 2203/4885CA2 1237/4885CA12 2030/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 CA1 2319/4885CA2 1025/4885CA12 2196/4885
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis ZKSCAN2, TPRKB, KHK CA1 307/4885CA2 459/4885CA12 720/4885

“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.