SCHEMBL12200480

SCHEMBL12200480

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cccc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc-4c35)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HPGD P15428 6/20 0.42
TSHR P16473 6/20 0.42
HSD17B10 Q99714 6/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
MAPK1 P28482 5/20 0.42
CASP1 P29466 2/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
MAPT P10636 5/20 0.41
ATM Q13315 4/20 0.41
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 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
SCHEMBL19271445 0.92 CRHBP (0.43) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL23546600 0.92 CRHBP (0.43) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL25822850 0.92 CRHBP (0.43) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL12200431 0.92 CRHBP (0.46) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL23546599 0.92 CRHBP (0.46) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL17692174 0.91 ALDH1A1 (0.40) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL20698282 0.91 ALDH1A1 (0.40) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL27129049 0.90 CRHBP (0.42) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL17692173 0.90 ALDH1A1 (0.39) ALDH1A1HPGDTSHRHSD17B10L3MBTL1
SCHEMBL17692170 0.90 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHSD17B10L3MBTL1

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-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

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 44/4885HPGD 2320/4885TSHR 952/4885

“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.