SCHEMBL17487173

SCHEMBL17487173

N#Cc1ccc(C2=C3C(=C(c4ccc(C#N)cc4)C2=O)c2cc4ccccc4c4cccc3c24)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MAOB P27338 1/20 0.40
IDO1 P14902 1/20 0.39
TNKS O95271 1/20 0.39
CES1 P23141 1/20 0.38
STK10 O94804 1/20 0.37
SLK Q9H2G2 1/20 0.37
FABP1 P07148 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
MCL1 Q07820 1/20 0.37
XDH P47989 1/20 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
SCHEMBL17490264 0.89 ALDH1A1 (0.44) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL10304455 0.85 ALDH1A1 (0.54) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL23348941 0.83 MCL1 (0.47) ALDH1A1MAPK1CASP1CA1CA2
SCHEMBL10015037 0.75 ALDH1A1 (0.41) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13170959 0.74 CA1 (0.51) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL17487162 0.73 ALDH1A1 (0.58) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13192344 0.73 ALDH1A1 (0.43) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL13170953 0.73 CA1 (0.50) ALDH1A1HPGDTSHRCA1CA2
SCHEMBL13170956 0.73 CA1 (0.50) ALDH1A1HPGDTSHRCA1CA2
SCHEMBL11910667 0.72 TSHR (0.52) ALDH1A1HPGDTSHRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed
US-9472766-B2 Fused polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2016-10-18 US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 US disclosed
US-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-02-04 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-20160035982-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME NR2E3, PUF60, CRY2 ALDH1A1 897/4885HPGD 3473/4885TSHR 3737/4885

“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.