SCHEMBL1102629

SCHEMBL1102629

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccncc67)cc5)cc4)c4cnccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.39
TNF P01375 1/20 0.37
ALOX5 P09917 1/20 0.34
PIK3CD O00329 1/20 0.34
MAP2 P11137 1/20 0.33
MAPK10 P53779 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
DHODH Q02127 4/20 0.32
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL1102613 0.99 PDK2 (0.40) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102790 0.99 PDK2 (0.40) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102799 0.98 PDK2 (0.42) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102593 0.98 PDK2 (0.42) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102668 0.97 PDK2 (0.40) PDK2TNFPIK3CD
SCHEMBL1102684 0.96 PDK2 (0.39) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102795 0.96 TNF (0.39) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102813 0.96 PDK2 (0.39) PDK2TNFALOX5PIK3CDDHODH
SCHEMBL1102894 0.96 PDK2 (0.39) PDK2TNFALOX5PIK3CDDHODH
SCHEMBL21249211 0.95 PDK2 (0.39) PDK2TNFALOX5PIK3CDMAP2

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 5 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
EP-2147962-A1 Azaanthracene-derivatives and organic electroluminescent device using the same Gracel Display Inc. (KR) 2010-01-27 EP 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 1930/4885TNF 3803/4885ALOX5 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.