SCHEMBL1102496

SCHEMBL1102496

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4cnccc34)cc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
RPS6KA3 P51812 2/20 0.41
MAPK10 P53779 1/20 0.40
HASPIN Q8TF76 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
CYP11B1 P15538 1/20 0.38
ALOX5 P09917 1/20 0.38
PIK3CA P42336 2/20 0.38
DYRK1A Q13627 1/20 0.37
IMPDH2 P12268 1/20 0.37
CYP17A1 P05093 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CYP1A2 P05177 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
CYP46A1 Q9Y6A2 1/20 0.35
NOTUM Q6P988 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
SCHEMBL1102751 0.88 TNF (0.54) TNFRPS6KA3HASPINKDM4ECYP11B1
SCHEMBL1102798 0.84 TNF (0.47) TNFMAPK10KDM4EPOLBHTT
SCHEMBL1102677 0.84 TNF (0.47) TNFMAPK10KDM4EPOLBHTT
SCHEMBL1102900 0.84 TNF (0.47) TNFMAPK10KDM4EPOLBHTT
SCHEMBL1102806 0.84 TNF (0.47) TNFMAPK10KDM4EPOLBHTT
SCHEMBL1102862 0.84 TNF (0.50) TNFRPS6KA3MAPK10HASPINPOLB
SCHEMBL1102612 0.83 TNF (0.53) TNFRPS6KA3HASPINKDM4EPOLB
SCHEMBL1102639 0.83 TNF (0.45) TNFMAPK10KDM4EPOLBHTT
SCHEMBL1102642 0.83 TNF (0.53) TNFRPS6KA3HASPINKDM4ECYP11B1
SCHEMBL1102590 0.83 TNF (0.53) TNFRPS6KA3MAPK10HASPINKDM4E

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 3803/4885RPS6KA3 4141/4885MAPK10 1869/4885

“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.