SCHEMBL2318595

SCHEMBL2318595

[c]1cccc2c(-c3cccc4[c]cccc34)cccc12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32

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
SCHEMBL352178 0.93
SCHEMBL2270433 0.89 ALDH1A1 (0.40) CYP1A2CYP2A6
SCHEMBL10973920 0.86
SCHEMBL385879 0.85 METAP2 (0.38) CYP2A6
SCHEMBL20774140 0.84 HPRT1 (0.50) CYP1A2CYP2A6
SCHEMBL3783406 0.83 ALDH1A1 (0.46) CYP1A2CYP2A6
SCHEMBL152508 0.82 CYP1A2 (0.33) CYP1A2
SCHEMBL6783338 0.82
SCHEMBL20773990 0.82 ALDH1A1 (0.43) CYP1A2
SCHEMBL20774105 0.82 ALDH1A1 (0.41) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352801-B1 ELECTROACTIVE MATERIALS DU PONT (US) 2017-06-21 EP disclosed
US-9099653-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2015-08-04 US disclosed
EP-2352801-A2 ELECTROACTIVE MATERIALS E. I. du Pont de Nemours and Company (US) 2011-08-10 EP disclosed
US-20100187506-A1 ELECTROACTIVE MATERIALS LG CHEM, LTD. (KR) 2010-07-29 US disclosed
WO-2010065497-A2 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 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-20100187506-A1 ELECTROACTIVE MATERIALS ARL1, ITGA1, ITGB1 CYP1A2 469/4885CYP2A6 2277/4885

“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.