SCHEMBL1102978

SCHEMBL1102978

c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4)c4ncccc34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 4/20 0.39
TOP1 P11387 2/20 0.38
PIK3CD O00329 1/20 0.37
MAOB P27338 1/20 0.37
GP6 Q9HCN6 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL1103005 0.98 ESR1 (0.38) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1102851 0.98 TOP1 (0.39) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1102913 0.97 TOP1 (0.38) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1103108 0.97 ESR1 (0.41) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1103113 0.97 ESR1 (0.41) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1102944 0.92 TOP1 (0.39) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1102864 0.90 TOP1 (0.40) ESR1ESR2TOP1PIK3CDMAOB
SCHEMBL1102949 0.90 L3MBTL1 (0.41) ESR1ESR2TOP1MAOBALDH1A1
SCHEMBL1102789 0.90 L3MBTL1 (0.41) ESR1ESR2TOP1MAOBALDH1A1
SCHEMBL1102990 0.90 L3MBTL1 (0.41) ESR1ESR2TOP1MAOBALDH1A1

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-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-8153279-B2 Organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2012-04-10 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 US disclosed
US-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-11 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-20100033083-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD2, OCIAD1 ESR1 1038/4885ESR2 576/4885TOP1 4307/4885

“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.