SCHEMBL2497910

SCHEMBL2497910

Nc1c(Cl)cccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.52
DHFR P00374 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1B1 Q16678 1/20 0.43
HSD11B1 P28845 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KMO O15229 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
CYP1A2 P05177 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
SCHEMBL27185940 0.86 TSHR (0.57) AHRRAB9ANPC1ADORA1CYP3A4
SCHEMBL29420455 0.86 TSHR (0.57) AHRRAB9ANPC1ADORA1CYP3A4
SCHEMBL29911918 0.83 AHR (0.47) AHRDHFRRAB9ANPC1ADORA1
SCHEMBL2500495 0.83 AHR (0.47) AHRDHFRRAB9ANPC1ADORA1
SCHEMBL2493688 0.79 ALOX5AP (0.44) BACE1JAK2JAK1TYK2JAK3
SCHEMBL4452887 0.79 AHR (0.69) AHRDHFRRAB9ACYP1B1HSD11B1
SCHEMBL29617534 0.79 AHR (0.60) AHRCYP1B1HSD11B1PTGER1PTGER3
SCHEMBL3111742 0.79 AHR (0.60) AHRCYP1B1HSD11B1PTGER1PTGER3
Hydrochloric Acid SCHEMBL27658331 0.78 TDO2 (0.49) DHFRRAB9ANPC1ADORA1ALDH1A1
SCHEMBL28170993 0.78 PTGER1 (0.48) AHRPTGER1PTGER3PTGER2TSHR

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 AHR 12/4885DHFR 1773/4885RAB9A 1678/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 AHR 24/4885DHFR 1279/4885RAB9A 1475/4885

“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.