SCHEMBL15028274

SCHEMBL15028274

Clc1cc2c(-c3ccccc3)c3c(c(-c4ccccc4)c2cc1Br)-c1ccc2c4ccc5c6c(ccc(c7ccc-3c1c72)c64)-c1ccccc1-5

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.35
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HKDC1 Q2TB90 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL14680398 0.88 CYP1A2 (0.33) CYP2A6ALDH1A1MAPK1THRATHRB
SCHEMBL15028259 0.88 HKDC1 (0.40) CYP2A6ALDH1A1MAPK1HKDC1THRA
SCHEMBL14680405 0.83 ALDH1A1 (0.37) CYP2A6ALDH1A1MAPK1THRATHRB
SCHEMBL14680277 0.80 CA12 (0.35) CYP2A6ALDH1A1MAPK1HKDC1THRA
SCHEMBL16357066 0.79 ALDH1A1 (0.38) CYP2A6ALDH1A1MAPK1THRATHRB
SCHEMBL14732734 0.79 ERBB2 (0.32)
SCHEMBL12683623 0.77 CYP1A2 (0.37) BCL2ALDH1A1MAPK1HKDC1THRB
SCHEMBL15028275 0.75 HKDC1 (0.30) HKDC1
SCHEMBL14680469 0.72 CYP1A2 (0.33) CYP2A6ALDH1A1THRATHRB
SCHEMBL12449294 0.72 CYP1A2 (0.41) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170133598-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE CANON KK (JP) 2017-05-11 US disclosed
US-20170133598-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE CANON KK (JP) 2017-05-11 US disclosed
EP-2788306-B1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE CANON KK (JP) 2017-05-03 EP disclosed
US-9590199-B2 Organic compound, organic light emitting device, and image display device CANON KABUSHIKI KAISHA (JP) 2017-03-07 US disclosed
US-9590199-B2 Organic compound, organic light emitting device, and image display device CANON KABUSHIKI KAISHA (JP) 2017-03-07 US disclosed
US-20140374723-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2014-12-25 US disclosed
US-20140374723-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2014-12-25 US disclosed
WO-2013084833-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2013-06-13 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-20170133598-A1 NOVEL ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE, AND IMAGE DISPLAY DEVICE OCIAD1, OCIAD2, OXER1 BCL2 4315/4885CYP2A6 1041/4885ALDH1A1 48/4885

“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.