SCHEMBL13487693

SCHEMBL13487693

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
PGR P06401 1/20 0.36
PDE9A O76083 1/20 0.35
PIM1 P11309 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
PDPK1 O15530 1/20 0.33
ALK Q9UM73 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTGER3 P43115 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KDM1A O60341 2/20 0.32
FASN P49327 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
SCHEMBL13488065 0.94 PDK2 (0.43) PDK2PGRPDE9APIM1SLC22A12
SCHEMBL13487526 0.90 PDK2 (0.43) PDK2PGRALK
SCHEMBL13487752 0.90 PDK2 (0.46) PDK2PGRALK
SCHEMBL13487610 0.89 MCL1 (0.37) PDK2PGRPIM1SLC22A12ALK
SCHEMBL13487289 0.88 PIM1 (0.36) PDK2PGRPDE9APIM1SLC22A12
SCHEMBL13488140 0.87 PDK2 (0.48) PDK2PGRALK
SCHEMBL13487459 0.86 PDK2 (0.38) PDK2PGRPDE9AALK
SCHEMBL13487652 0.86 PDK2 (0.36) PDK2PGRPTGER3
SCHEMBL15763518 0.86 ALK (0.40) PDK2PGRPDE9APIM1ALK
SCHEMBL15945215 0.85 PDK2 (0.39) PDK2PGRPDE9APIM1PDPK1

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 2 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

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 1456/4885PGR 4215/4885PDE9A 4179/4885

“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.