SCHEMBL1102897

SCHEMBL1102897

Cc1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccncc23)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.43
TNF P01375 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
DHFR P00374 1/20 0.39
CYP17A1 P05093 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
MEN1 O00255 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL1103614 0.89 KDR (0.45) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1102975 0.88 TNF (0.47) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1104943 0.86 TNF (0.46) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1103642 0.86 TNF (0.46) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1105444 0.86 TNF (0.43) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1102907 0.86 TNF (0.54) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1102723 0.85 CYP11B1 (0.41) MAPTKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL12887209 0.85 KDR (0.39) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL12886851 0.85 KDR (0.39) KDRTNFMAPTKDM4EALDH1A1
SCHEMBL1103691 0.84 TNF (0.56) KDRTNFMAPTKDM4EALDH1A1

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 KDR 1059/4885TNF 3803/4885MAPT 3162/4885

“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.