SCHEMBL1102604

SCHEMBL1102604

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccncc34)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
PDK2 Q15119 5/20 0.35
ALOX5 P09917 1/20 0.34
MAP2 P11137 1/20 0.34
MAPK10 P53779 1/20 0.33
CYP17A1 P05093 2/20 0.33
CYP1A2 P05177 2/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HASPIN Q8TF76 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PIK3CD O00329 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAD52 P43351 1/20 0.32
AKT1 P31749 2/20 0.32
CYP11B1 P15538 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
SCHEMBL21249211 0.94 PDK2 (0.39) TNFPDK2ALOX5MAP2MAPK10
SCHEMBL1102790 0.93 PDK2 (0.40) TNFPDK2ALOX5MAP2CYP17A1
SCHEMBL1102613 0.93 PDK2 (0.40) TNFPDK2ALOX5MAP2CYP17A1
SCHEMBL1102593 0.91 PDK2 (0.42) TNFPDK2ALOX5MAP2CYP17A1
SCHEMBL1102629 0.91 PDK2 (0.39) TNFPDK2ALOX5MAP2MAPK10
SCHEMBL1102795 0.90 TNF (0.39) TNFPDK2ALOX5MAP2CYP17A1
SCHEMBL1102684 0.90 PDK2 (0.39) TNFPDK2ALOX5MAP2CYP17A1
SCHEMBL1102813 0.90 PDK2 (0.39) TNFPDK2ALOX5NCOA3PIK3CD
SCHEMBL1102894 0.90 PDK2 (0.39) TNFPDK2ALOX5NCOA3PIK3CD
SCHEMBL1102587 0.89 PDK2 (0.40) TNFPDK2ALOX5MAP2CYP17A1

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 TNF 3803/4885PDK2 1930/4885ALOX5 9/4885

“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.