SCHEMBL1103656

SCHEMBL1103656

CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3cnccc3c(-c3cccc4ccccc34)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.43
TNF P01375 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
EPHX2 P34913 1/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDO2 P48775 2/20 0.34
PIM1 P11309 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK9 P45984 3/20 0.33

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
SCHEMBL1103618 0.91 KDR (0.49) KDRTNFSLC22A12EPHX2CYP19A1
SCHEMBL1103617 0.91 CYP17A1 (0.42) KDRSLC22A12CYP11B1CYP11B2CYP17A1
SCHEMBL1103655 0.88 CYP17A1 (0.43) KDRTNFSLC22A12CYP11B1CYP11B2
SCHEMBL1103671 0.88 CYP11B1 (0.44) TNFCYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102820 0.88 TNF (0.48) TNFSLC22A12CYP11B1CYP11B2CYP17A1
SCHEMBL1103657 0.87 KIF11 (0.42) KDRTNFSLC22A12CYP11B1CYP11B2
SCHEMBL1103667 0.87 TNF (0.46) TNFSLC22A12CYP11B1CYP11B2CYP17A1
SCHEMBL1102805 0.86 KDR (0.49) KDRTNFSLC22A12KIF11TRPV1
SCHEMBL1102816 0.86 CYP11B1 (0.48) TNFCYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102781 0.86 TNF (0.49) TNFCYP11B1CYP11B2CYP17A1CYP19A1

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 4 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

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.