SCHEMBL1102684

SCHEMBL1102684

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccncc56)c5ccccc45)c4cnccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 6/20 0.39
TNF P01375 1/20 0.36
DHODH Q02127 2/20 0.33
ALOX5 P09917 1/20 0.33
PIK3CD O00329 1/20 0.33
MAP2 P11137 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
CYP17A1 P05093 2/20 0.32
CYP1A2 P05177 2/20 0.32
DGAT2 Q96PD7 1/20 0.31
AKT1 P31749 2/20 0.31
MGAT2 Q10469 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
SCHEMBL1102790 0.98 PDK2 (0.40) PDK2TNFDHODHALOX5PIK3CD
SCHEMBL1102613 0.98 PDK2 (0.40) PDK2TNFDHODHALOX5PIK3CD
SCHEMBL1102629 0.96 PDK2 (0.39) PDK2TNFDHODHALOX5PIK3CD
SCHEMBL1102593 0.96 PDK2 (0.42) PDK2TNFDHODHALOX5PIK3CD
SCHEMBL1102682 0.96 PDK2 (0.38) PDK2TNFDHODHPIK3CD
SCHEMBL1102795 0.95 TNF (0.39) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1102813 0.95 PDK2 (0.39) PDK2TNFDHODHALOX5PIK3CD
SCHEMBL1102894 0.95 PDK2 (0.39) PDK2TNFDHODHALOX5PIK3CD
SCHEMBL1102587 0.94 PDK2 (0.40) PDK2TNFALOX5PIK3CDMAP2
SCHEMBL1103641 0.94 PDK2 (0.38) PDK2TNFDHODHALOX5PIK3CD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190319194-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2019-10-17 US disclosed
US-20160149139-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-26 US disclosed
US-20160149139-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-05-26 US disclosed
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES UNIVERSAL DISPLAY CORPORATION 2016-04-14 US disclosed
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES UNIVERSAL DISPLAY CORPORATION 2016-04-14 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-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 (2 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 3803/4885DHODH 1013/4885
US-20160104847-A1 NOVEL COMPOUNDS AND USES IN DEVICES TERT, UACA, TXN PDK2 3633/4885TNF 241/4885DHODH 3060/4885

“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.