SCHEMBL1104943

SCHEMBL1104943

Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
KDR P35968 3/20 0.43
DHFR P00374 1/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP2A6 P11509 1/20 0.42
SLC22A12 Q96S37 2/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
CYP1A2 P05177 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL1102907 0.91 TNF (0.54) TNFKDRDHFRALDH1A1SLC22A12
SCHEMBL1102975 0.90 TNF (0.47) TNFKDRDHFRALDH1A1CYP2A6
SCHEMBL1103691 0.89 TNF (0.56) TNFKDRDHFRALDH1A1SLC22A12
SCHEMBL1102541 0.89 TNF (0.56) TNFKDRDHFRALDH1A1SLC22A12
SCHEMBL1103642 0.88 TNF (0.46) TNFKDRDHFRALDH1A1CYP2A6
SCHEMBL1102897 0.86 KDR (0.43) TNFKDRDHFRALDH1A1CYP2A6
SCHEMBL1102808 0.85 TNF (0.44) TNFKDRDHFRALDH1A1SLC22A12
SCHEMBL1102802 0.84 TNF (0.51) TNFKDRDHFRALDH1A1SLC22A12
SCHEMBL16298711 0.84 SLC22A12 (0.43) TNFALDH1A1SLC22A12CYP1A2MAPT
SCHEMBL1102879 0.84 TNF (0.69) TNFALDH1A1SLC22A12IKBKETBK1

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 2 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-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 1059/4885DHFR 3167/4885

“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.