SCHEMBL1466083

SCHEMBL1466083

COc1cc(OC)cc(C(N)(c2cc(OC)cc(OC)c2)C(N)C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4B1 P13584 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2A7 P20853 1/20 0.34
CYP3A7 P24462 1/20 0.34
CYP2F1 P24903 1/20 0.34
CYP2C18 P33260 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP2J2 P51589 1/20 0.34
CYP4F2 P78329 1/20 0.34

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
SCHEMBL1467139 0.84 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP1A2CYP2E1
SCHEMBL636461 0.82 SLC6A4 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL162234 0.82 SLC6A4 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2837925 0.82 SLC6A4 (0.46) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL14687601 0.82 TAAR1 (0.47) ALDH1A1CYP3A4TAAR1SLC6A4SMN1; SMN2
SCHEMBL14687588 0.82 TAAR1 (0.47) ALDH1A1CYP3A4TAAR1SLC6A4SMN1; SMN2
SCHEMBL30664386 0.81 SLC6A4 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1465845 0.77 ALDH1A1 (0.38) ALDH1A1TAAR1SLC6A4HTR2A
SCHEMBL10038034 0.77 ACHE (0.52) ALDH1A1KMT2ASLC6A4SMN1; SMN2
SCHEMBL16329073 0.77 ACHE (0.52) ALDH1A1KMT2ASLC6A4SMN1; SMN2

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 15 patents. 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-8518368-B2 Method for the production of hydrogen from ammonia borane KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-08-27 US disclosed
US-20110070152-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2011-03-24 US disclosed
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US disclosed
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP disclosed
EP-2158154-A1 METHOD FOR THE PRODUCTION OF HYDROGEN FROM AMMONIA BORANE Kanata Chemical Technologies Inc. (CA) 2010-03-03 EP 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
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 (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-20030045727-A1 Process for preparing optically active secondary alcohols having nitrogenous or oxygenic functional groups ADH1A, ADH5, ADH1C ALDH1A1 85/4885CYP1A1 223/4885CYP1B1 130/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 ALDH1A1 3759/4885CYP1A1 4357/4885CYP1B1 4032/4885
US-20040192543-A1 Chiral porous metal phosphonates for heterogeneous asymmetric catalysis ZKSCAN2, TPRKB, KHK ALDH1A1 4320/4885CYP1A1 3935/4885CYP1B1 3738/4885

“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.