SCHEMBL1102803

SCHEMBL1102803

c1ccc2c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccncc56)ccc4c3)cccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.50
TDO2 P48775 2/20 0.44
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL1102781 0.97 TNF (0.49) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102568 0.97 TNF (0.53) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102820 0.96 TNF (0.48) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102653 0.96 TNF (0.51) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1103667 0.95 TNF (0.46) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102826 0.95 TNF (0.50) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102816 0.95 CYP11B1 (0.48) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102552 0.93 TNF (0.56) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102722 0.93 TNF (0.52) TNFTDO2PIK3CDPIK3CBPIK3CG
SCHEMBL1102627 0.93 TNF (0.52) TNFTDO2PIK3CDPIK3CBPIK3CG

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 3803/4885TDO2 1166/4885PIK3CD 1649/4885

“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.