SCHEMBL12273631

SCHEMBL12273631

Clc1ccc2c(ccc3cc(Br)c4ccccc4c32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.44
▸ CYP1A2 P05177 3/20 0.42
▸ AHR P35869 2/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TYMS P04818 1/20 0.37
▸ HSD17B10 Q99714 4/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ THRB P10828 1/20 0.32
▸ RAB9A P51151 2/20 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
SCHEMBL30562832 0.88 CYP2A6 (0.42) CYP2A6CYP1A2AHRERBB2FYN
SCHEMBL17658578 0.83 CYP2D6 (0.49) CYP2A6CYP1A2AHRMAOACYP2D6
SCHEMBL28573559 0.82 CYP2A6 (0.45) CYP2A6CYP1A2AHRCYP2D6CYP2C19
SCHEMBL31514546 0.82 CYP2A6 (0.45) CYP2A6CYP1A2AHRCYP2D6CYP2C19
SCHEMBL1373429 0.81 HSD17B10 (0.50) CYP2A6CYP1A2AHRERBB2FYN
SCHEMBL28570139 0.80 ALDH1A1 (0.45) CYP2A6CYP1A2AHRERBB2FYN
SCHEMBL12273229 0.80 CYP2A6 (0.58) CYP2A6CYP1A2AHRERBB2FYN
SCHEMBL31222434 0.80 CYP2A6 (0.58) CYP2A6CYP1A2AHRERBB2FYN
SCHEMBL28647579 0.78 TYMS (0.41) CYP2A6CYP1A2AHRERBB2FYN
SCHEMBL29650526 0.78 TYMS (0.41) CYP2A6CYP1A2AHRERBB2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9331296-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-05-03 — — US disclosed
US-9331296-B2 Organic light-emitting device CANON KABUSHIKI KAISHA (JP) 2016-05-03 — — US disclosed
US-9178161-B2 Benzo[c]phenanthrene compound and organic light-emitting device containing same CANON KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
US-9178161-B2 Benzo[c]phenanthrene compound and organic light-emitting device containing same CANON KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
US-9178161-B2 Benzo[c]phenanthrene compound and organic light-emitting device containing same CANON KABUSHIKI KAISHA (JP) 2015-11-03 — — US disclosed
US-20130001542-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 — — US disclosed
US-20130001542-A1 ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2013-01-03 — — US disclosed
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2012-09-20 — — US disclosed
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2012-09-20 — — US disclosed
US-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2012-09-20 — — US disclosed
WO-2011068034-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME CANON KABUSHIKI KAISHA (JP) 2011-06-09 — — 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-20120235888-A1 NEW BENZO[c]PHENANTHRENE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME AHR, ARNT, NR0B1 CYP2A6 418/4885CYP1A2 40/4885AHR 1/4885

“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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