SCHEMBL1585957

SCHEMBL1585957

Cc1ccc(Cl)cc1-c1cccc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ ESR2 Q92731 1/20 0.43
▸ MAP4K4 O95819 1/20 0.43
▸ HSD11B1 P28845 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ SERPINE1 P05121 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MDM2 Q00987 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ S1PR4 O95977 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
SCHEMBL23240158 0.89 ESR2 (0.45) CNR1CYP1A2ESR2MAP4K4IDO1
SCHEMBL10388611 0.88 CYP1A2 (0.46) CNR1CYP1A2ESR2MAP4K4HSD11B1
SCHEMBL25616713 0.87 CYP1A2 (0.52) CNR1CYP1A2ESR2MAP4K4HSD11B1
SCHEMBL16574007 0.86 ESR2 (0.52) CNR1CYP1A2ESR2MAP4K4IDO1
SCHEMBL16574008 0.83 CNR1 (0.46) CNR1ESR2MAP4K4IDO1CYP3A4
SCHEMBL10452682 0.83 CYP1A2 (0.58) CNR1CYP1A2ESR2MAP4K4MAPT
SCHEMBL16573982 0.80 ALDH1A1 (0.50) CNR1MAP4K4IDO1CYP3A4
SCHEMBL16574041 0.80 TSHR (0.50) CNR1ESR2MAP4K4CYP3A4MAPT
SCHEMBL16574087 0.80 MEN1 (0.43) CNR1ESR2MAP4K4HSD11B1IDO1
SCHEMBL16574048 0.78 RXRA (0.57) CNR1MAP4K4CYP3A4SERPINE1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648333-B2 Triarylamine compounds for use in organic light-emitting diodes E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-11 — — US disclosed
EP-2491003-A2 TRIARYLAMINE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. du Pont de Nemours and Company (US) 2012-08-29 — — EP disclosed
US-20110253985-A1 TRIARYLAMINE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-10-20 — — US disclosed
WO-2011049953-A2 TRIARYLAMINE COMPOUNDS FOR ELECTRONIC APPLICATIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-28 — — 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 (1 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-20110253985-A1 TRIARYLAMINE COMPOUNDS FOR ELECTRONIC APPLICATIONS PNMT, COMT, TYR CNR1 2774/4885CYP1A2 112/4885ESR2 140/4885

“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.

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