SCHEMBL1102602

SCHEMBL1102602

CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccccc56)c5cnccc45)c4ccccc34)cc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.38
PIK3CD O00329 1/20 0.37
TNF P01375 1/20 0.35
MGAT2 Q10469 1/20 0.34
BACE1 P56817 1/20 0.33
DHODH Q02127 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
TDO2 P48775 2/20 0.32
BRD4 O60885 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL1102682 0.95 PDK2 (0.38) PDK2PIK3CDTNFDHODH
SCHEMBL1102783 0.95 PDK2 (0.38) PDK2PIK3CDTNFMGAT2BACE1
SCHEMBL1102563 0.92 PDK2 (0.40) PDK2PIK3CDTNFDHODH
SCHEMBL1102684 0.91 PDK2 (0.39) PDK2PIK3CDTNFMGAT2DHODH
SCHEMBL1102813 0.91 PDK2 (0.39) PDK2PIK3CDTNFDHODH
SCHEMBL1102894 0.91 PDK2 (0.39) PDK2PIK3CDTNFDHODH
SCHEMBL1102578 0.91 PDK2 (0.41) PDK2PIK3CDTNF
SCHEMBL1103695 0.91 PDK2 (0.40) PDK2PIK3CDTNF
SCHEMBL1102965 0.91 TNF (0.39) PDK2PIK3CDTNFBACE1DHODH
SCHEMBL1102586 0.90 PDK2 (0.38) PDK2PIK3CDTNFMGAT2DHODH

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 1930/4885PIK3CD 1649/4885TNF 3803/4885

“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.