SCHEMBL13487289

SCHEMBL13487289

CC1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5ccc6ccccc6c5)cc34)cccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.36
PGR P06401 3/20 0.35
PDK2 Q15119 2/20 0.35
KDM1A O60341 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
PDPK1 O15530 1/20 0.33
PDE9A O76083 1/20 0.33
HRH3 Q9Y5N1 3/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGER3 P43115 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
FASN P49327 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL13487188 0.91 MCL1 (0.37) PIM1PGRPDK2SLC22A12PDPK1
SCHEMBL13487119 0.90 PDK2 (0.40) PGRPDK2
SCHEMBL13487376 0.89 PDK2 (0.44) PGRPDK2
SCHEMBL13487693 0.88 PDK2 (0.38) PIM1PGRPDK2KDM1ASLC22A12
SCHEMBL13488065 0.88 PDK2 (0.43) PIM1PGRPDK2KDM1ASLC22A12
SCHEMBL13487270 0.86 PIK3CD (0.34) PGRPDK2PTGER3
SCHEMBL13487047 0.86 PGR (0.37) PGRPDK2KDM1APDE9A
SCHEMBL13487291 0.85 CYP1A2 (0.38) PGRPDK2PTGER3CYP11B1CYP11B2
SCHEMBL13487277 0.85 HSD17B1 (0.37) PDK2CYP17A1CYP11B1CYP11B2
SCHEMBL13487330 0.83 ESR1 (0.31)

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 PIM1 1414/4885PGR 4215/4885PDK2 1456/4885

“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.