SCHEMBL2493219

SCHEMBL2493219

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.50
DHFR P00374 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
APP P05067 2/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL29962749 0.85 AHR (0.48) AHRDHFRNPC1RAB9APSEN1
SCHEMBL597055 0.85 AHR (0.48) AHRDHFRNPC1RAB9APSEN1
Hydrochloric Acid SCHEMBL31475440 0.84 ALDH1A1 (0.48) AHRDHFRNPC1RAB9APSEN1
Hydrochloric Acid SCHEMBL31475434 0.84 ALDH1A1 (0.48) AHRDHFRNPC1RAB9APSEN1
Hydrochloric Acid SCHEMBL31475438 0.84 ALDH1A1 (0.48) AHRDHFRNPC1RAB9APSEN1
SCHEMBL2502464 0.81 TSHR (0.56) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL3793523 0.78 TAAR1 (0.52) APPCYP3A4ALDH1A1MAPK1MAPT
SCHEMBL9733580 0.78 AHR (0.64) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL27412108 0.78 AHR (0.50) AHRDHFRNPC1RAB9ACYP3A4
SCHEMBL2501033 0.77 ALDH1A1 (0.45) DHFRALDH1A1AKR1C3AKR1C2KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819223-B1 USE OF MENADIONE FOR BOOSTING THE EFFECTIVENESS OF AGROCHEMICALS BASF SE (DE) 2008-03-12 EP claimed
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 1773/4885NPC1 2519/4885
US-20090005597-A1 Process for Preparing Substituted Biphenyls CBR3, HRH3, CBR1 AHR 24/4885DHFR 1279/4885NPC1 1656/4885

“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.