SCHEMBL1103659

SCHEMBL1103659

CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3cnccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.39
TNF P01375 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
PDK2 Q15119 2/20 0.32
BACE1 P56817 1/20 0.31
CCR4 P51679 1/20 0.31

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
SCHEMBL1103630 0.92 PDK2 (0.36) KDRPDK2
SCHEMBL1103658 0.91 SLC22A12 (0.35) KDRTNFEPHX2SLC22A12PDK2
SCHEMBL1102772 0.90 TNF (0.40) KDRTNFSLC22A12PDK2BACE1
SCHEMBL1103666 0.89 TNF (0.39) TNFEPHX2PDK2BACE1
SCHEMBL1103626 0.88 TNF (0.39) KDRTNFSLC22A12PDK2BACE1
SCHEMBL1103665 0.88 TNF (0.40) TNFSLC22A12PDK2BACE1
SCHEMBL1103654 0.88 KDR (0.35) KDRTNFPDK2BACE1
SCHEMBL1103679 0.88 TNF (0.40) TNFSLC22A12PDK2BACE1
SCHEMBL1103639 0.87 TNF (0.40) TNFEPHX2PDK2BACE1
SCHEMBL1102962 0.87 TNF (0.40) KDRTNFSLC22A12PDK2BACE1

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 3803/4885EPHX2 739/4885

“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.