SCHEMBL3437822

SCHEMBL3437822

Nc1c(Br)cccc1OC=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.30

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
SCHEMBL2865123 0.79 CD44 (0.38) —
SCHEMBL1191551 0.79 GRM4 (0.41) —
SCHEMBL10212397 0.78 — —
SCHEMBL10209572 0.76 ALDH1A1 (0.30) CYP2A6
SCHEMBL28869513 0.76 ALDH1A1 (0.43) —
SCHEMBL28184037 0.76 ALDH1A1 (0.40) CYP2A6
SCHEMBL7692434 0.76 PARP1 (0.40) CYP2A6
SCHEMBL2624867 0.76 G6PD (0.42) —
SCHEMBL28225368 0.76 CD44 (0.45) CYP2A6
SCHEMBL28121126 0.76 ERN1 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822043-B2 Organic compound and organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2014-09-02 — — US disclosed
US-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2012-04-19 — — US 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-20120091450-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE TRPA1, AFF4, TYR CYP2A6 439/4885

“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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