SCHEMBL2495875

SCHEMBL2495875

O=[N+]([O-])c1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
AHR P35869 5/20 0.44
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGER1 P34995 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
EIF4E P06730 2/20 0.39
TLR8 Q9NR97 1/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RORB Q92753 1/20 0.38

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
SCHEMBL2497057 0.86 HSD17B10 (0.42) HSD17B10AHRTSHRALDH1A1PTGER1
SCHEMBL2493681 0.83 ALDH1A1 (0.41) TSHRALDH1A1EIF4ETLR8MAPT
SCHEMBL28427977 0.81 AHR (0.56) HSD17B10AHRTSHRALDH1A1EIF4E
SCHEMBL4583260 0.81 ALDH1A1 (0.53) TSHRALDH1A1TLR8MEN1MAPT
SCHEMBL13982734 0.80 GRIN2D (0.42) TSHRALDH1A1TLR8MEN1MAPT
SCHEMBL29962438 0.78 ALDH1A1 (0.59) HSD17B10AHRALDH1A1PTGER1PTGER3
SCHEMBL1558204 0.78 ALDH1A1 (0.59) HSD17B10AHRALDH1A1PTGER1PTGER3
SCHEMBL27756439 0.77 MEN1 (0.43) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL25561353 0.77 TDP1 (0.43) TSHRALDH1A1KDM4EMEN1MAPT
SCHEMBL13983293 0.76 APP (0.47) ALDH1A1TLR8KDM4EGAAMAPT

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 850/4885AHR 12/4885TSHR 20/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 HSD17B10 563/4885AHR 24/4885TSHR 14/4885

“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.