SCHEMBL1103689

SCHEMBL1103689

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5cnccc5c(-c5cccc6ccccc56)c4c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
TNF P01375 1/20 0.34
PIM1 P11309 1/20 0.34
PDK2 Q15119 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDO2 P48775 2/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
BACE1 P56817 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
TLR8 Q9NR97 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
SCHEMBL1103673 1.00 CYP11B1 (0.35) CYP11B1CYP11B2CYP17A1CYP19A1TNF
SCHEMBL1103663 0.95 TNF (0.38) CYP11B1CYP11B2CYP17A1CYP19A1TNF
SCHEMBL1103626 0.94 TNF (0.39) TNFPDK2BACE1SLC22A12TLR8
SCHEMBL1103634 0.94 CYP17A1 (0.39) CYP11B1CYP11B2CYP17A1CYP19A1TNF
SCHEMBL1103676 0.94 CYP17A1 (0.39) CYP11B1CYP11B2CYP17A1CYP19A1TNF
SCHEMBL1103643 0.94 CYP17A1 (0.39) CYP11B1CYP11B2CYP17A1CYP19A1TNF
SCHEMBL1103665 0.93 TNF (0.40) TNFPDK2BACE1SLC22A12MAPK10
SCHEMBL1103679 0.93 TNF (0.40) TNFPDK2BACE1SLC22A12MAPK10
SCHEMBL1103666 0.93 TNF (0.39) TNFPDK2PIK3CDBACE1TLR8
SCHEMBL1102772 0.92 TNF (0.40) TNFPDK2BACE1SLC22A12

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 CYP11B1 836/4885CYP11B2 652/4885CYP17A1 2034/4885

“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.