SCHEMBL12200511

SCHEMBL12200511

Cc1cccc(C)c1-c1nc(-c2c(C)cccc2C)nc(-c2ccc3ccc4cc(C(C)(C)C)cc5ccc2c3c45)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
POLB P06746 1/20 0.30
SRC P12931 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL12200509 0.90 ALDH1A1 (0.32) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL12200457 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL12200497 0.86 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL12200506 0.81 ABCG2 (0.39) ALDH1A1HPGDTSHRL3MBTL1ERBB2
SCHEMBL22144338 0.81
SCHEMBL13342025 0.80 NPC1 (0.36) ALDH1A1HPGDTSHRCYP1A2POLB
SCHEMBL12200468 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDTSHRHSD17B10
SCHEMBL15890844 0.79
SCHEMBL12200505 0.79 MEN1 (0.38) ALDH1A1HPGDTSHRTDP1L3MBTL1
SCHEMBL12200455 0.76 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDTSHRHSD17B10

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-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197289-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 US disclosed
US-8765270-B2 Triazine compound and organic light emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-07-01 US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
US-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-10-06 US disclosed
WO-2010067894-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2010-06-17 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-20110240983-A1 TRIAZINE COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME TERT, CYP1A1, NR2E3 ALDH1A1 44/4885CYP3A4 334/4885HPGD 2320/4885

“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.