SCHEMBL5358569

SCHEMBL5358569

COc1cc(OC)c(P(Cl)c2c(OC)cc(OC)cc2OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 6/20 0.41
CYP1A1 P04798 7/20 0.39
CYP1B1 Q16678 7/20 0.39
MAPK1 P28482 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ERN1 O75460 1/20 0.38
NQO2 P16083 1/20 0.38
CYP2C19 P33261 3/20 0.36
CYP2E1 P05181 2/20 0.36
CYP2C8 P10632 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL2886444 0.86 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL180252 0.80 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL15094975 0.79 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL25053617 0.78 CA12 (0.52) ALDH1A1CA12CA1CA2CA7
Bromide SCHEMBL20424457 0.78 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL31325535 0.78 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA7
SCHEMBL6754210 0.76 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL8721590 0.74 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA7
SCHEMBL8029761 0.73 CA1 (0.50) ALDH1A1CA12CA1CA2CA7
SCHEMBL8932161 0.73 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250519-B2 Method for the production of arylamines MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
EP-1442007-B1 METHOD FOR THE PRODUCTION OF ARYLAMINES MERCK PATENT GMBH (DE) 2006-11-29 EP disclosed
US-20050054854-A1 Method for the production of arylamines MERCK PATENT GMBH (DE) 2005-03-10 US disclosed
EP-1442007-A1 METHOD FOR THE PRODUCTION OF ARYLAMINES Covion Organic Semiconductors GmbH (DE) 2004-08-04 EP disclosed
WO-2003037844-A1 METHOD FOR THE PRODUCTION OF ARYLAMINES COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-05-08 WO disclosed
US-6084133-A REACTING A PHOSPHINE HALIDE WITH A METAL, THEN PROTONATION RESULTING DIORGANO-SUBSTITUTED METAL PHOSPHIDE; SIMPLIFICATION, NONTOXIC, EFFICIENCY KANKYO KAGAKU CENTER CO., LTD. (JP) 2000-07-04 US 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 (1 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-20050054854-A1 Method for the production of arylamines DDT, PDS5A, KMO ALDH1A1 2177/4885CA12 2943/4885CA1 3320/4885

“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.