SCHEMBL1102467

SCHEMBL1102467

CC(C)c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccncc34)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.35
DGAT2 Q96PD7 3/20 0.34
KDR P35968 1/20 0.34
TDO2 P48775 2/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
DHODH Q02127 1/20 0.31
SLC22A12 Q96S37 1/20 0.30
MAPK9 P45984 2/20 0.30
MAPK10 P53779 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL1102529 0.94 CYP17A1 (0.36) PDK2DGAT2KDRTDO2AKR1C3
SCHEMBL1102570 0.92 KDR (0.36) PDK2DGAT2KDRAKR1C3AKR1C2
SCHEMBL1102725 0.92 CYP11B1 (0.39) PDK2TDO2CYP11B1CYP11B2CYP17A1
SCHEMBL1102625 0.92 TDO2 (0.38) PDK2TDO2CYP11B1CYP11B2CYP17A1
SCHEMBL1102515 0.91 PDK2 (0.36) PDK2DGAT2KDRDHODH
SCHEMBL1102596 0.90 PDK2 (0.39) PDK2TDO2CYP11B1CYP11B2CYP17A1
SCHEMBL1102655 0.89 CYP11B1 (0.39) PDK2TDO2CYP11B1CYP11B2CYP17A1
SCHEMBL1102662 0.88 PDK2 (0.37) PDK2DGAT2TDO2CYP11B1CYP11B2
SCHEMBL1102676 0.88 CYP11B1 (0.41) TDO2CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL1102707 0.88 CYP17A1 (0.41) PDK2TDO2CYP11B1CYP11B2CYP17A1

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 PDK2 1930/4885DGAT2 778/4885KDR 1059/4885

“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.