SCHEMBL13487358

SCHEMBL13487358

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccncc5)c5ccccc5c(-c5cccc6c5-c5ccccc5C6(C)C)c4c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.42
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
PIK3CA P42336 1/20 0.32
IMPDH2 P12268 2/20 0.31
CDC7 O00311 1/20 0.31
ROCK2 O75116 1/20 0.31
MAP4K4 O95819 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
MAPK14 Q16539 2/20 0.31
MAPK11 Q15759 1/20 0.30
DHODH Q02127 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
SCHEMBL13487107 0.92 PIK3CA (0.40) PDK2HSD17B1HSD17B2PIK3CAIMPDH2
SCHEMBL13488126 0.92 PDK2 (0.46) PDK2HSD17B1HSD17B2PIK3CAIMPDH2
SCHEMBL15977559 0.89 PDK2 (0.49) PDK2PIK3CAIMPDH2CDC7ROCK2
SCHEMBL13487277 0.89 HSD17B1 (0.37) PDK2HSD17B1HSD17B2MAPK14MAPK11
SCHEMBL13487896 0.88 PDK2 (0.46) PDK2HSD17B1HSD17B2PIK3CAIMPDH2
SCHEMBL13487720 0.88 PDK2 (0.43) PDK2HSD17B1HSD17B2PIK3CAIMPDH2
SCHEMBL13487360 0.88 PDK2 (0.35) PDK2
SCHEMBL13487357 0.88 PDK2 (0.45) PDK2HSD17B1HSD17B2PIK3CAMAP4K4
SCHEMBL13487361 0.88 PDK2 (0.39) PDK2
SCHEMBL13487174 0.88 MAPK11 (0.38) PDK2HSD17B1HSD17B2MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
US-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2010-02-25 US disclosed
EP-2108689-A2 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-10-14 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-20100045170-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 PDK2 1456/4885HSD17B1 789/4885HSD17B2 1070/4885

“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.