SCHEMBL1103663

SCHEMBL1103663

CC1(C)c2ccccc2-c2ccc(-c3c4ccncc4c(-c4ccc5ccccc5c4)c4ccc(-c5cccc6ccccc56)cc34)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
BACE1 P56817 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
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
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TDO2 P48775 2/20 0.34
PIM1 P11309 1/20 0.34
NTSR1 P30989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
CYP17A1 P05093 1/20 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
SCHEMBL1103639 0.96 TNF (0.40) TNFPIK3CDBACE1TLR8TLR7
SCHEMBL1103689 0.95 CYP11B1 (0.35) TNFPIK3CDPIK3CBPIK3CGBACE1
SCHEMBL1103673 0.95 CYP11B1 (0.35) TNFPIK3CDPIK3CBPIK3CGBACE1
SCHEMBL1103666 0.94 TNF (0.39) TNFPIK3CDBACE1TLR8TLR7
SCHEMBL1103634 0.93 CYP17A1 (0.39) TNFPIK3CDPIK3CBPIK3CGCYP11B1
SCHEMBL1103643 0.93 CYP17A1 (0.39) TNFPIK3CDPIK3CBPIK3CGCYP11B1
SCHEMBL1103676 0.93 CYP17A1 (0.39) TNFPIK3CDPIK3CBPIK3CGCYP11B1
SCHEMBL1102725 0.92 CYP11B1 (0.39) TNFPIK3CDPIK3CBPIK3CGCYP11B1
SCHEMBL1102787 0.91 TNF (0.45) TNFPIK3CDPIK3CBPIK3CGBACE1
SCHEMBL1103681 0.90 CYP11B2 (0.38) TNFCYP11B1CYP11B2TDO2SLC22A12

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 2 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-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 TNF 3803/4885PIK3CD 1649/4885PIK3CB 3389/4885

“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.