SCHEMBL1103680

SCHEMBL1103680

c1ccc2c(-c3c4cnccc4c(-c4cccc5ccccc45)c4ncccc34)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
TNF P01375 3/20 0.45
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 1/20 0.40
CCR1 P32246 3/20 0.38
CCR8 P51685 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
GMNN O75496 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP2 P08253 1/20 0.38
CYP2D6 P10635 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
SCHEMBL1102865 0.89 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1103090 0.88 KDM4E (0.45) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1103691 0.88 TNF (0.56) IKBKETBK1TNFKDM4EMAPT
SCHEMBL1102541 0.88 TNF (0.56) IKBKETBK1TNFKDM4EMAPT
SCHEMBL1102907 0.86 TNF (0.54) IKBKETBK1TNFKDM4EMAPT
SCHEMBL13512523 0.86 KDM4E (0.50) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL13512475 0.85 IKBKE (0.42) IKBKETBK1TNFKDM4EMAPT
SCHEMBL1103195 0.85 KDM4E (0.43) IKBKETBK1KDM4EMAPTALDH1A1
SCHEMBL1103683 0.84 CYP11B1 (0.50) IKBKETBK1TNFKDM4EMAPT
SCHEMBL1102986 0.84 KDM4E (0.49) IKBKETBK1TNFKDM4EMAPT

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 IKBKE 3651/4885TBK1 3794/4885TNF 3803/4885

“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.