SCHEMBL635988

SCHEMBL635988

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
TDP1 Q9NUW8 3/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIF11 P52732 6/20 0.40
SLC6A3 Q01959 1/20 0.40
AOC3 Q16853 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL14596128 1.00 SLC6A4 (0.47) SLC6A4CA12CA1CA2CA7
SCHEMBL2837925 0.86 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL162234 0.86 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL636461 0.86 SLC6A4 (0.46) SLC6A4CA12CA1CA2CA7
SCHEMBL30664386 0.84 SLC6A4 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL637387 0.80 SLC6A4 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL10038034 0.80 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL16329073 0.80 ACHE (0.52) SLC6A4CA12CA1CA2CA7
SCHEMBL1467139 0.79 ALDH1A1 (0.46) SLC6A4ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL9722972 0.79 LTA4H (0.45) CA1CA2CA9MAOAMAPK1

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 146 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
EP-1745056-A4 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY CORP (US) 2007-10-31 EP claimed
EP-1745056-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS Yale University Corporation (US) 2007-01-24 EP claimed
WO-2005111050-A2 ENANTIOSELECTIVE PHOSPHORAMIDITE COMPOUNDS AND CATALYSTS YALE UNIVERSITY (US) 2005-11-24 WO claimed
WO-2004024684-A2 ENANTIOSELECTIVE AMINATION AND ETHERIFICATION YALE UNIVERSITY (US) 2004-03-25 WO claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
EP-0912467-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1999-05-06 EP claimed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US claimed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO claimed
US-12129249-B2 Method for producing optically active compound DAY ONE BIOPHARMACEUTICALS, INC. (US) 2024-10-29 US disclosed
EP-4406609-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Day One Biopharmaceuticals, Inc. (US) 2024-07-31 EP 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
EP-0829463-A2 (E)-(R)-2-Alkyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)-2-buten-1-ol, process for preparing the same, and use thereof in perfume compositions Takasago International Corporation (JP) 1998-03-18 EP disclosed
WO-1998000375-A1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE (FR) 1998-01-08 WO disclosed
EP-0781749-A2 Process for producing optically active benzhydrol compounds Takasago International Corporation (JP) 1997-07-02 EP disclosed
EP-0768288-A2 Process for preparing optically active cyclohexanol derivatives Takasago International Corporation (JP) 1997-04-16 EP disclosed
EP-0718265-A2 Method for producing an alcohol RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1996-06-26 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 (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-20220169600-A1 METHOD FOR PRODUCING PKROSTAGLANDIN PTGS1, PTGER1, RACK1 SLC6A4 4369/4885CA12 4438/4885CA1 2612/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 SLC6A4 1993/4885CA12 2196/4885CA1 2319/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR SLC6A4 1615/4885CA12 3324/4885CA1 4105/4885

“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.