SCHEMBL1102777

SCHEMBL1102777

c1ccc2c(-c3c4ccccc4c(-c4c5ccccc5cc5ccccc45)c4cnccc34)cccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.49
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
RAD52 P43351 1/20 0.41
CYP11B1 P15538 1/20 0.41
CES1 P23141 1/20 0.41
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL1103691 0.92 TNF (0.56) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1102541 0.92 TNF (0.56) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL29190807 0.90 TNF (0.56) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1102907 0.90 TNF (0.54) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1102876 0.89 CYP11B1 (0.50) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1102619 0.88 KDM4E (0.50) TNFCDK5CDK5R1KDM4EPOLB
SCHEMBL1102802 0.87 TNF (0.51) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1102706 0.85 TNF (0.53) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1103642 0.85 TNF (0.46) TNFGSK3BCDK5CDK5R1KDM4E
SCHEMBL1102550 0.84 TNF (0.61) TNFKDM4ECYP11B1IKBKETBK1

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 3803/4885GSK3B 3423/4885CDK5 1250/4885

“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.