SCHEMBL2501033

SCHEMBL2501033

Nc1cc(F)ccc1-c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
FEN1 P39748 8/20 0.42
ALOX5AP P20292 5/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CYP1A1 P04798 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
DHFR P00374 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37

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
SCHEMBL2503083 0.84 ALDH1A1 (0.50) ALDH1A1FEN1ALOX5APHDAC1HDAC2
SCHEMBL2500848 0.82 TSHR (0.45) ALDH1A1FEN1ALOX5APHDAC1HDAC2
SCHEMBL3793523 0.81 TAAR1 (0.52) ALDH1A1TAAR1GAAHTTPTGS1
SCHEMBL29462674 0.78 ALDH1A1 (0.55) ALDH1A1HDAC1TAAR1GAAHTT
SCHEMBL29647556 0.78 FEN1 (0.55) ALDH1A1FEN1ALOX5APPTGS1PTGS2
SCHEMBL30325664 0.78 TAAR1 (0.59) ALDH1A1TAAR1GAAHTTKDM4E
SCHEMBL396633 0.78 FEN1 (0.55) ALDH1A1FEN1ALOX5APPTGS1PTGS2
SCHEMBL2493219 0.77 AHR (0.50) ALDH1A1KDM4EDHFRAKR1C3AKR1C2
SCHEMBL30927149 0.77 ALDH1A1 (0.50) ALDH1A1HDAC1CYP1A1GAAHTT
SCHEMBL28228449 0.77 ALDH1A1 (0.44) ALDH1A1HDAC1CYP1A1TAAR1GAA

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-8030527-B2 Process for preparing substituted biphenyls BASF SE (DE) 2011-10-04 US disclosed
US-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS SMIDT SEBASTIAN PEER 2010-10-07 US disclosed
US-7709684-B2 Process for preparing substituted biphenyls BASF SE (DE) 2010-05-04 US disclosed
EP-2029519-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2009-03-04 EP disclosed
US-20090005597-A1 Process for Preparing Substituted Biphenyls BASF SE (DE) 2009-01-01 US disclosed
WO-2007138089-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS BASF SE (DE) 2007-12-06 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 (2 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-20100256418-A1 PROCESS FOR PREPARING SUBSTITUTED BIPHENYLS CBR3, HRH3, CBR1 ALDH1A1 2554/4885FEN1 3083/4885ALOX5AP 2946/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 ALDH1A1 1911/4885FEN1 3260/4885ALOX5AP 2956/4885

“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.