SCHEMBL1102584

SCHEMBL1102584

c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cnccc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
NOTUM Q6P988 1/20 0.43
MAPK10 P53779 1/20 0.43
CYP19A1 P11511 1/20 0.40
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GP6 Q9HCN6 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.39
PRKCZ Q05513 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
ACHE P22303 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
SCHEMBL1102639 0.98 TNF (0.45) TNFNOTUMMAPK10CYP19A1GRIN2D
SCHEMBL1102555 0.98 TNF (0.45) TNFNOTUMMAPK10CYP19A1GRIN2D
SCHEMBL1102557 0.97 TNF (0.44) TNFNOTUMMAPK10CYP19A1GRIN2D
SCHEMBL1102927 0.95 TNF (0.47) TNFNOTUMMAPK10CYP19A1GRIN2D
SCHEMBL1102701 0.95 TNF (0.47) TNFNOTUMMAPK10CYP19A1GRIN2D
SCHEMBL1102499 0.91 NOTUM (0.45) TNFNOTUMMAPK10CYP19A1KDM4E
SCHEMBL1102823 0.89 CYP11B2 (0.54) TNFMAPK10CYP19A1PRKCZTDO2
SCHEMBL1102830 0.89 CYP11B2 (0.54) TNFMAPK10CYP19A1PRKCZTDO2
SCHEMBL1102608 0.89 NOTUM (0.43) TNFNOTUMMAPK10CYP19A1KDM4E
SCHEMBL1102539 0.88 CYP11B2 (0.51) TNFNOTUMMAPK10CYP19A1PRKCZ

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 3803/4885NOTUM 8/4885MAPK10 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.