SCHEMBL1102491

SCHEMBL1102491

c1ccc2c(c1)-c1cccc3c(-c4c5ccccc5c(-c5ccc6c7c(cccc57)-c5ccccc5-6)c5cnccc45)ccc-2c13

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TNF P01375 1/20 0.41
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL1102905 0.94 TNF (0.47) CRHBPCRHR2KEAP1NFE2L2TNF
SCHEMBL1102660 0.92 TNF (0.46) CRHBPCRHR2KEAP1NFE2L2TNF
SCHEMBL12887401 0.86 TNF (0.35) CRHBPCRHR2KEAP1NFE2L2TNF
SCHEMBL12886988 0.86 MAPT (0.39) CRHBPCRHR2KEAP1NFE2L2TNF
SCHEMBL1102770 0.85 CYP11B1 (0.41) TNFALDH1A1HPGDTSHRMAPK1
SCHEMBL1102907 0.84 TNF (0.54) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL3418742 0.83 KEAP1 (0.58) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL1102541 0.82 TNF (0.56) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL1103691 0.82 TNF (0.56) TNFALDH1A1HPGDMAPK1HSD17B10
SCHEMBL1102487 0.82 TNF (0.41) TNFALDH1A1HPGDHSD17B10CDK4

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 CRHBP 4736/4885CRHR2 3997/4885KEAP1 789/4885

“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.