SCHEMBL1102862

SCHEMBL1102862

c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4)c4ccncc34)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.50
NOTUM Q6P988 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX5 P09917 1/20 0.38
RPS6KA3 P51812 2/20 0.38
PTGS2 P35354 1/20 0.38
PIK3CA P42336 1/20 0.38
MAP2 P11137 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 2/20 0.37
MAPK10 P53779 1/20 0.37
DYRK1A Q13627 1/20 0.37
POLB P06746 1/20 0.37
IMPDH2 P12268 1/20 0.37
KDR P35968 1/20 0.36
HASPIN Q8TF76 1/20 0.36
DHODH Q02127 3/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1102612 0.97 TNF (0.53) TNFNOTUMCYP17A1CYP1A2ALOX5
SCHEMBL1102590 0.97 TNF (0.53) TNFNOTUMCYP17A1CYP1A2RPS6KA3
SCHEMBL1102634 0.93 TNF (0.56) TNFNOTUMCYP17A1CYP1A2ALOX5
SCHEMBL1102793 0.90 NOTUM (0.48) TNFNOTUMCYP1A2ALOX5MAP2
SCHEMBL1102483 0.90 NOTUM (0.48) TNFNOTUMCYP1A2ALOX5MAP2
SCHEMBL1102728 0.90 NOTUM (0.48) TNFNOTUMCYP1A2ALOX5MAP2
SCHEMBL1102643 0.90 NOTUM (0.48) TNFNOTUMCYP1A2ALOX5MAP2
SCHEMBL1102751 0.88 TNF (0.54) TNFNOTUMCYP17A1CYP1A2ALOX5
SCHEMBL1102675 0.88 TNF (0.60) TNFCYP17A1CYP1A2ALDH1A1MAPT
SCHEMBL1102806 0.88 TNF (0.47) TNFNOTUMCYP1A2ALOX5MAP2

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 TNF 3803/4885NOTUM 8/4885CYP17A1 2034/4885

“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.