SCHEMBL636097

SCHEMBL636097

COc1ccc(C(N)(c2ccc(OC)cc2)C(N)Cc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
SLC6A4 P31645 1/20 0.49
LTA4H P09960 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
KIF11 P52732 9/20 0.45
BACE1 P56817 1/20 0.45
KCNH2 Q12809 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
LDHA P00338 1/20 0.42

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
SCHEMBL9585006 0.94 ALDH1A1 (0.45) ALDH1A1SLC6A4LTA4HPPARGPPARA
SCHEMBL8653942 0.93 SLC6A4 (0.46) ALDH1A1SLC6A4LTA4HPPARGPPARA
SCHEMBL9584268 0.92 SLC6A4 (0.58) SLC6A4LTA4HCYP1A2CYP2D6CYP2C19
SCHEMBL1465631 0.86 TAAR1 (0.44) ALDH1A1SLC6A4PPARGPPARACYP2D6
SCHEMBL9584068 0.86 SLC6A4 (0.51) SLC6A4CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL1153290 0.83 KDM4E (0.69) ALDH1A1SLC6A4LTA4HPPARGPPARA
SCHEMBL1153287 0.83 KDM4E (0.69) ALDH1A1SLC6A4LTA4HPPARGPPARA
SCHEMBL1465792 0.83 KDM4E (0.61) SLC6A4CYP2D6KDM4ELMNAMAPK1
SCHEMBL636098 0.80 SLC6A4 (0.51) ALDH1A1SLC6A4LTA4HPPARGPPARA
SCHEMBL5479687 0.78 KIF11 (0.43) ALDH1A1SLC6A4CYP1A2CYP2D6CYP2C19

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 103 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
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US 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-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
EP-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
US-5780692-A CATALYTIC ASYMMETRIC HYDROGENATION OF A BENZOPHENONE; SIMPLIFICATION TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-07-14 US disclosed
US-5756863-A Process for preparing optically active cyclohexanol derivatives TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-05-26 US 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
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 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 (6 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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A ALDH1A1 6/4885SLC6A4 3240/4885LTA4H 1214/4885
US-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR ALDH1A1 1036/4885SLC6A4 1615/4885LTA4H 1564/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR ALDH1A1 1036/4885SLC6A4 1615/4885LTA4H 1564/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 ALDH1A1 3759/4885SLC6A4 1993/4885LTA4H 3986/4885
US-12129249-B2 Method for producing optically active compound DHPS, QDPR, SPR ALDH1A1 1036/4885SLC6A4 1615/4885LTA4H 1564/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR ALDH1A1 1036/4885SLC6A4 1615/4885LTA4H 1564/4885

“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.