SCHEMBL1103629

SCHEMBL1103629

c1ccc2c(-c3ccc4c(-c5cccc6ccccc56)c5cnccc5c(-c5cccc6ccccc56)c4c3)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.53
KDM4E B2RXH2 2/20 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
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
EPHX2 P34913 1/20 0.39
IKBKE Q14164 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
SCHEMBL1103667 0.92 TNF (0.46) TNFKDM4EPIK3CDPIK3CBPIK3CG
SCHEMBL1103631 0.92 TNF (0.57) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1103621 0.92 TNF (0.54) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1103632 0.91 CYP11B1 (0.47) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1103636 0.91 TNF (0.56) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1103637 0.89 TNF (0.48) TNFKDM4EPIK3CDPIK3CBPIK3CG
SCHEMBL1102803 0.89 TNF (0.50) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1102826 0.89 TNF (0.50) TNFKDM4EPIK3CDPIK3CBPIK3CG
SCHEMBL1102956 0.89 TNF (0.56) TNFKDM4EALDH1A1MAPTHPGD
SCHEMBL1102779 0.88 TNF (0.59) TNFKDM4EALDH1A1MAPTHPGD

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 3803/4885KDM4E 3367/4885ALDH1A1 1015/4885

“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.