SCHEMBL2500848

SCHEMBL2500848

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
DPP4 P27487 1/20 0.45
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
FEN1 P39748 4/20 0.39
ALOX5AP P20292 3/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
GRM5 P41594 1/20 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
SCHEMBL2497592 0.85 TSHR (0.45) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL14906969 0.83 ALDH1A1 (0.56) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL2501033 0.82 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HDAC1HDAC2
SCHEMBL4148009 0.82 SMN1; SMN2 (0.46) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL29097678 0.82 GRM2 (0.43) DPP4FEN1ALOX5AP
SCHEMBL17867987 0.78 TSHR (0.46) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL31607699 0.78 TSHR (0.68) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL2502464 0.78 TSHR (0.56) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL30839748 0.78 TSHR (0.68) TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2
SCHEMBL30839743 0.78 TSHR (0.68) TSHRCYP3A4ALDH1A1ALOX15SMN1; 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 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 TSHR 20/4885CYP3A4 671/4885ALDH1A1 2554/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 TSHR 14/4885CYP3A4 666/4885ALDH1A1 1911/4885

“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.