SCHEMBL1102808

SCHEMBL1102808

Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.44
KDR P35968 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
DHFR P00374 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 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
SCHEMBL1102680 0.88 TNF (0.46) TNFKDRCA12CA1CA2
SCHEMBL1103642 0.88 TNF (0.46) TNFKDRDHFRALDH1A1SMN1; SMN2
SCHEMBL1102582 0.88 NPC1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ADHODH
SCHEMBL1102781 0.87 TNF (0.49) TNFALDH1A1SMN1; SMN2MAPK11MAPK14
SCHEMBL1102834 0.86 TNF (0.49) TNFKDRDHFRALDH1A1SMN1; SMN2
SCHEMBL1102820 0.85 TNF (0.48) TNFALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL1102976 0.85 TNF (0.48) TNFKDRDHFRALDH1A1SMN1; SMN2
SCHEMBL1102711 0.85 CYP11B1 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL1104943 0.85 TNF (0.46) TNFKDRDHFRALDH1A1SMN1; SMN2
SCHEMBL1105444 0.85 TNF (0.43) TNFKDRDHFRALDH1A1SMN1; SMN2

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 3803/4885KDR 1059/4885CA12 2242/4885

“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.