SCHEMBL1102838

SCHEMBL1102838

c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccncc34)ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
TNF P01375 1/20 0.43
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
KDM4E B2RXH2 4/20 0.37
CYP1A2 P05177 1/20 0.37
GRM4 Q14833 1/20 0.36
MAPT P10636 5/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL24662854 0.90 NPC1 (0.51) NPC1GSK3BCDK5CDK5R1CYP11B1
SCHEMBL1103691 0.85 TNF (0.56) NPC1TNFIKBKETBK1GSK3B
SCHEMBL1102541 0.85 TNF (0.56) NPC1TNFIKBKETBK1GSK3B
SCHEMBL1102986 0.85 KDM4E (0.49) NPC1TNFIKBKETBK1GSK3B
SCHEMBL1102907 0.84 TNF (0.54) NPC1TNFIKBKETBK1GSK3B
SCHEMBL1102654 0.83 ESR1 (0.42) NPC1TNFCYP11B1CYP11B2KDM4E
SCHEMBL1102777 0.81 TNF (0.49) NPC1TNFIKBKETBK1GSK3B
SCHEMBL1102656 0.81 CYP11B1 (0.44) NPC1CYP11B1CYP11B2KDM4ECYP1A2
SCHEMBL1103220 0.81 NPC1 (0.43) NPC1GSK3BCDK5CDK5R1CYP11B1
SCHEMBL1102802 0.81 TNF (0.51) NPC1TNFIKBKETBK1GSK3B

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 NPC1 1582/4885TNF 3803/4885IKBKE 3651/4885

“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.