SCHEMBL2501231

SCHEMBL2501231

O=[N+]([O-])c1cccc(Cl)c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
S100A4 P26447 2/20 0.43
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
AHR P35869 1/20 0.42
TDP1 Q9NUW8 4/20 0.42
PTGES O14684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
VCAM1 P19320 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL2501051 0.86 HSD17B10 (0.42) HSD17B10KDM4AKDM4BS100A4BCL2L1
SCHEMBL2502699 0.83 ALDH1A1 (0.42) S100A4HPGDTDP1PTGESCYP2C9
SCHEMBL28655963 0.83 FABP3 (0.50) S100A4HPGDPTGESCYP2C9MAPK1
SCHEMBL15987733 0.81 TDP1 (0.53) S100A4HPGDTDP1PTGESCYP2C9
SCHEMBL30462497 0.81 TDP1 (0.53) S100A4HPGDTDP1PTGESCYP2C9
SCHEMBL13982826 0.80 GPR35 (0.48) S100A4HPGDMCL1TDP1MAPK1
SCHEMBL29292653 0.79 FABP4 (0.44) HSD17B10S100A4HPGDMCL1TDP1
SCHEMBL1558204 0.78 ALDH1A1 (0.59) HSD17B10KDM4AKDM4BHPGDAHR
SCHEMBL29962438 0.78 ALDH1A1 (0.59) HSD17B10KDM4AKDM4BHPGDAHR
SCHEMBL4456561 0.78 AHR (0.62) AHRTSHRMEN1LMNAMAPT

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 HSD17B10 850/4885KDM4A 3670/4885KDM4B 3766/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 HSD17B10 563/4885KDM4A 3113/4885KDM4B 3470/4885

“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.