SCHEMBL14225296

SCHEMBL14225296

c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ MAPK10 P53779 5/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ PRKACA P17612 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ CACNG8 Q8WXS5 1/20 0.43
▸ CACNG2 Q9Y698 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ATR Q13535 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ GSR P00390 1/20 0.39

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
SCHEMBL19397639 0.95 ESR1 (0.50) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL14225204 0.95 ESR1 (0.49) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL19397414 0.94 ESR1 (0.53) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL16305275 0.93 ESR1 (0.48) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL14225214 0.93 ESR1 (0.48) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL19369871 0.92 ESR1 (0.49) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL19397529 0.92 ESR1 (0.49) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL19369872 0.91 ESR1 (0.50) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL15172020 0.90 ESR1 (0.54) ESR1ESR2MAPK10CYP1A1CYP1B1
SCHEMBL14225283 0.90 ESR1 (0.56) ESR1ESR2PRKACARPS6KB1GSK3B

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-9136481-B2 Compound for an organic photoelectric device, organic photoelectric device including the same, and display device including the organic photoelectric device CHEIL INDUSTRIES, INC. (KR) 2015-09-15 — — US disclosed
US-9136481-B2 Compound for an organic photoelectric device, organic photoelectric device including the same, and display device including the organic photoelectric device CHEIL INDUSTRIES, INC. (KR) 2015-09-15 — — US disclosed
US-20120313091-A1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC PHOTOELECTRIC DEVICE CHEIL INDUSTRIES, INC. (KR) 2012-12-13 — — US disclosed
US-20120313091-A1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC PHOTOELECTRIC DEVICE CHEIL INDUSTRIES, INC. (KR) 2012-12-13 — — 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-20120313091-A1 COMPOUND FOR AN ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE ORGANIC PHOTOELECTRIC DEVICE PPOX, AOX1, PNPO ESR1 209/4885ESR2 2518/4885MAPK10 1334/4885

“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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