SCHEMBL1102817

SCHEMBL1102817

c1ccc(-c2cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ncccc34)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 6/20 0.51
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.41
ACHE P22303 1/20 0.40
SYK P43405 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL1102914 0.88 CYP19A1 (0.58) TOP1CYP19A1NPC1PDE4APDE4C
SCHEMBL1103185 0.87 TOP1 (0.47) TOP1CYP19A1NPC1PDE4APDE4C
SCHEMBL1102864 0.85 TOP1 (0.40) TOP1CYP19A1NPC1ALDH1A1MEN1
SCHEMBL1102824 0.84 L3MBTL1 (0.43) TOP1NPC1ACHEALDH1A1TSHR
SCHEMBL1102944 0.83 TOP1 (0.39) TOP1CYP19A1NPC1ACHEALDH1A1
SCHEMBL1103120 0.83 L3MBTL1 (0.42) TOP1NPC1ACHEALDH1A1MAPK1
SCHEMBL1103115 0.83 L3MBTL1 (0.42) TOP1NPC1ACHEALDH1A1MAPK1
SCHEMBL1103081 0.83 L3MBTL1 (0.42) TOP1NPC1ACHEALDH1A1MAPK1
SCHEMBL1103109 0.83 L3MBTL1 (0.42) TOP1NPC1ACHEALDH1A1MAPK1
SCHEMBL19271319 0.82 MEN1 (0.50) CYP19A1ACHEALDH1A1MEN1KMT2A

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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 TOP1 4307/4885CYP19A1 1424/4885NPC1 1582/4885

“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.