SCHEMBL12232107

SCHEMBL12232107

c1ccc(-n2c(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)nc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)c3)nc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
AOC3 Q16853 2/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MAPT P10636 4/20 0.47
CYP11B2 P19099 1/20 0.45
GSR P00390 1/20 0.45
RAD51 Q06609 1/20 0.44
LCK P06239 1/20 0.43
G6PD P11413 1/20 0.43
PRKACA P17612 1/20 0.43
RPS6KB1 P23443 1/20 0.43
GSK3B P49841 1/20 0.43
ROCK1 Q13464 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL12232108 0.95 CYP19A1 (0.52) CYP19A1AOC3ESR1ESR2MAPT
SCHEMBL12232104 0.94 ESR1 (0.55) AOC3ESR1ESR2MAPTCYP11B2
SCHEMBL12232069 0.94 ESR1 (0.55) AOC3ESR1ESR2MAPTCYP11B2
SCHEMBL12232106 0.94 ESR1 (0.55) AOC3ESR1ESR2MAPTCYP11B2
SCHEMBL12232067 0.89 ESR1 (0.52) AOC3ESR1ESR2MAPTCYP11B2
SCHEMBL2484000 0.88 AOC3 (0.49) AOC3ESR1ESR2MAPTCYP11B2
SCHEMBL13893995 0.88 ESR1 (0.52) AOC3ESR1ESR2MAPTCYP11B2
SCHEMBL19397596 0.88 ESR1 (0.47) CYP19A1AOC3ESR1ESR2MAPT
SCHEMBL14225138 0.87 ESR1 (0.56) CYP19A1ESR1ESR2MAPTGSR
SCHEMBL14225145 0.87 ESR2 (0.58) ESR1ESR2GSRPRKACARPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772632-B2 Compound for organic photoelectric device, organic photoelectric device including the same, and display device including the same CHEIL INDUSTRIES, INC. (KR) 2014-07-08 US disclosed
US-8772632-B2 Compound for organic photoelectric device, organic photoelectric device including the same, and display device including the same CHEIL INDUSTRIES, INC. (KR) 2014-07-08 US disclosed
US-20130274471-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME IN KYU-YEON (KR) 2013-10-17 US disclosed
US-20130274471-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME IN KYU-YEON (KR) 2013-10-17 US disclosed
US-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-10-27 US disclosed
US-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME CHEIL INDUSTRIES, INC. (KR) 2011-10-27 US disclosed
WO-2010076991-A2 NOVEL COMPOUNDS FOR AN ORGANIC PHOTOELECTRIC DEVICE, AND ORGANIC PHOTOELECTRIC DEVICE COMPRISING SAME 제일모직 주식회사 (KR) 2010-07-08 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-20110260153-A1 COMPOUND FOR ORGANIC PHOTOELECTRIC DEVICE, ORGANIC PHOTOELECTRIC DEVICE INCLUDING THE SAME, AND DISPLAY DEVICE INCLUDING THE SAME PPOX, AOX1, OR10J3 CYP19A1 30/4885AOC3 153/4885ESR1 152/4885

“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.