SCHEMBL12232104

SCHEMBL12232104

c1ccc(-n2c(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)nc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
AOC3 Q16853 2/20 0.54
MAPT P10636 4/20 0.51
CYP11B2 P19099 1/20 0.50
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
G6PD P11413 1/20 0.47
GSR P00390 1/20 0.46
RAD51 Q06609 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MDM2 Q00987 1/20 0.45
LCK P06239 1/20 0.45
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2A6 P11509 1/20 0.44

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
SCHEMBL12232106 1.00 ESR1 (0.55) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL12232069 1.00 ESR1 (0.55) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL12232067 0.95 ESR1 (0.52) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL13893995 0.94 ESR1 (0.52) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL2484000 0.94 AOC3 (0.49) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL12232107 0.94 CYP19A1 (0.52) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL540960 0.92 AOC3 (0.63) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL12232000 0.90 MAPT (0.48) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL12232080 0.90 AOC3 (0.46) ESR1ESR2AOC3MAPTCYP11B2
SCHEMBL12232108 0.89 CYP19A1 (0.52) ESR1ESR2AOC3MAPTCYP11B2

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 6 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

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 ESR1 152/4885ESR2 2206/4885AOC3 153/4885

“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.