SCHEMBL13854898

SCHEMBL13854898

c1ccc2cc3c(cc2c1)-c1cccc2nccc-3c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HSD17B10 Q99714 5/20 0.57
HPGD P15428 5/20 0.57
MAPK1 P28482 4/20 0.57
TP53 P04637 4/20 0.57
TSHR P16473 3/20 0.57
CASP1 P29466 3/20 0.57
HIF1A Q16665 3/20 0.57
CASP7 P55210 2/20 0.57
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41
NQO2 P16083 1/20 0.40
AHR P35869 1/20 0.39
MAOA P21397 1/20 0.39
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37

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
SCHEMBL21187695 0.87 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL732391 0.86 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL21187676 0.79 HSD17B10 (0.34) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL21187699 0.79 TLR8 (0.38) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL22798938 0.78 NPC1 (0.38) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL2512112 0.77 PTPRC (0.42) MAPK1GSK3BCYP1A2SMN1; SMN2
SCHEMBL13309041 0.76 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL29827450 0.76 PABPC1 (0.55) ALDH1A1HSD17B10MAPK1TP53TSHR
SCHEMBL13854906 0.76 ALDH1A1 (0.55) ALDH1A1HSD17B10HPGDMAPK1TP53
SCHEMBL458586 0.76 PABPC1 (0.55) ALDH1A1HSD17B10MAPK1TP53TSHR

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-20160093809-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2016-03-31 US disclosed
US-20160093809-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2016-03-31 US disclosed
US-8072137-B2 Fused heterocyclic compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-12-06 US disclosed
US-8072137-B2 Fused heterocyclic compound and organic light emitting device CANON KABUSHIKI KAISHA (JP) 2011-12-06 US disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 US disclosed
US-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-14 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-20090121625-A1 FUSED HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE TYR, CRY1, LAGE3 ALDH1A1 145/4885HSD17B10 2689/4885HPGD 516/4885

“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.