SCHEMBL1102706

SCHEMBL1102706

c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3cnccc23)c(-c2cccc3ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.53
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
SLC22A12 Q96S37 2/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL1102802 0.98 TNF (0.51) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1103691 0.93 TNF (0.56) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102541 0.93 TNF (0.56) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102736 0.92 TNF (0.58) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102907 0.91 TNF (0.54) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102730 0.87 TNF (0.46) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102905 0.87 TNF (0.47) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102665 0.87 TNF (0.64) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102777 0.85 TNF (0.49) TNFIKBKETBK1SLC22A12KDM4E
SCHEMBL1102550 0.85 TNF (0.61) TNFIKBKETBK1SLC22A12KDM4E

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 3803/4885IKBKE 3651/4885TBK1 3794/4885

“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.