SCHEMBL1768355

SCHEMBL1768355

COc1cccc(Br)c1-c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
DUSP3 P51452 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDK2 Q15119 1/20 0.42
APP P05067 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
SCHEMBL366191 0.94 TOP1 (0.48) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10177310 0.87 ALDH1A1 (0.43) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30832982 0.85 ALDH1A1 (0.52) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5568763 0.83 CA1 (0.48) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL367475 0.83 MAPT (0.44) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29559535 0.81 CA1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4429261 0.81 CA1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL30832984 0.79 ALDH1A1 (0.58) TOP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL18795084 0.78 APP (0.46) TOP1ALDH1A1KMT2AMAPTCA1
SCHEMBL17241679 0.78 APP (0.46) TOP1ALDH1A1KDM4ETDP1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011061439-A1 CATALYTIC PHOSPHINATION METHOD UNIVERSITE DE STRASBOURG (FR) 2011-05-26 WO disclosed
US-20090105505-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2009-04-23 US disclosed
EP-1778704-B1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2008-11-26 EP disclosed
EP-1778704-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-05-02 EP disclosed
EP-1761549-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2007-03-14 EP disclosed
WO-2006002730-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 WO disclosed
WO-2006002731-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES LONZA AG (CH) 2006-01-12 WO 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-20090105505-A1 PROCESS FOR THE PREPARATION OF ASYMMETRICALLY SUBSTITUTED BIARYLDIPHOSPHINES C1S, KMO, C1R TOP1 1775/4885ALDH1A1 2688/4885MEN1 1398/4885

“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.