SCHEMBL1103618

SCHEMBL1103618

CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3cnccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.49
TNF P01375 1/20 0.41
SLC22A12 Q96S37 2/20 0.41
TRPV1 Q8NER1 8/20 0.38
EPHX2 P34913 1/20 0.36
KIF11 P52732 3/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
CYP19A1 P11511 1/20 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
SCHEMBL1103656 0.91 KDR (0.43) KDRTNFSLC22A12TRPV1EPHX2
SCHEMBL29416697 0.88 KIF11 (0.44) KDRKIF11KCNQ3KCNQ2
SCHEMBL261638 0.88 KIF11 (0.44) KDRKIF11KCNQ3KCNQ2
SCHEMBL2380338 0.88 KIF11 (0.44) KDRKIF11KCNQ3KCNQ2
SCHEMBL5050124 0.88 KIF11 (0.44) KDRKIF11KCNQ3KCNQ2
SCHEMBL1102805 0.87 KDR (0.49) KDRTNFSLC22A12TRPV1KIF11
SCHEMBL1103659 0.85 KDR (0.39) KDRTNFSLC22A12TRPV1EPHX2
SCHEMBL1103691 0.83 TNF (0.56) KDRTNFSLC22A12
SCHEMBL1102541 0.83 TNF (0.56) KDRTNFSLC22A12
SCHEMBL1103614 0.83 KDR (0.45) KDRTNFSLC22A12

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 3803/4885SLC22A12 1907/4885

“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.