SCHEMBL1102680

SCHEMBL1102680

Cc1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)cc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
KDR P35968 4/20 0.42
DHFR P00374 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GSK3B P49841 1/20 0.37
CDK5 Q00535 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
SCHEMBL1102808 0.88 TNF (0.44) TNFKDRDHFRMAPK11MAPK14
SCHEMBL1102812 0.88 TNF (0.47) TNFKDRDHFRIKBKETBK1
SCHEMBL1102579 0.87 ACHE (0.46) ACHEALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1102976 0.86 TNF (0.48) TNFKDRDHFRIKBKETBK1
SCHEMBL1103642 0.86 TNF (0.46) TNFKDRDHFRIKBKETBK1
SCHEMBL13507890 0.85 TNF (0.47) TNFKDRDHFRIKBKETBK1
SCHEMBL1102975 0.85 TNF (0.47) TNFKDRDHFRIKBKETBK1
SCHEMBL1103691 0.84 TNF (0.56) TNFKDRDHFRIKBKETBK1
SCHEMBL1102541 0.84 TNF (0.56) TNFKDRDHFRIKBKETBK1
SCHEMBL1102834 0.84 TNF (0.49) TNFKDRDHFRMAPK11MAPK14

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 TNF 3803/4885KDR 1059/4885DHFR 3167/4885

“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.