SCHEMBL17490264

SCHEMBL17490264

N#Cc1cccc(C2=C3C(=C(c4cccc(C#N)c4)C2=O)c2cc4ccccc4c4cccc3c24)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 1/20 0.44
HIF1A Q16665 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MAOB P27338 1/20 0.43
STK10 O94804 1/20 0.41
SLK Q9H2G2 1/20 0.41
CHEK1 O14757 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADORA2A P29274 1/20 0.39
ADRA2C P18825 1/20 0.39
PGR P06401 2/20 0.37
MEN1 O00255 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
SCHEMBL17487173 0.89 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL10304455 0.84 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL10015037 0.74 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL17487162 0.72 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10MAPK1HPGD
SCHEMBL13170970 0.72 ADRA2C (0.46) ALDH1A1TSHRHSD17B10MAPK1CA1
SCHEMBL20396041 0.72 ADRA2C (0.54) ALDH1A1TSHRHSD17B10MAPK1MAOB
SCHEMBL15853175 0.72 ADRA2C (0.54) ALDH1A1TSHRHSD17B10MAPK1HIF1A
SCHEMBL23348941 0.71 MCL1 (0.47) ALDH1A1MAPK1CASP1CA1CA2
SCHEMBL13170957 0.70 PGR (0.48) ALDH1A1TSHRHSD17B10MAPK1CA1
SCHEMBL21889361 0.70 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10MAPK1HPGD

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 2 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-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 897/4885TSHR 3737/4885HSD17B10 972/4885

“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.