SCHEMBL13487526

SCHEMBL13487526

CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc(C#N)cc4)c4ccc(-c5ccccc5)cc34)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
PGR P06401 4/20 0.38
ALK Q9UM73 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
ACLY P53396 1/20 0.33
DPP4 P27487 2/20 0.32
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
AR P10275 2/20 0.32
FLT3 P36888 3/20 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
SCHEMBL13487909 0.93 PDK2 (0.48) PDK2PGRALKGABRA1GABRG2
SCHEMBL13487752 0.93 PDK2 (0.46) PDK2PGRALKALDH1A1ATM
SCHEMBL13487693 0.90 PDK2 (0.38) PDK2PGRALK
SCHEMBL13158584 0.90 PDK2 (0.45) PDK2PGRALKGABRA1GABRG2
SCHEMBL13488140 0.90 PDK2 (0.48) PDK2PGRALKALDH1A1ATM
SCHEMBL13487459 0.89 PDK2 (0.38) PDK2PGRALKALDH1A1ATM
SCHEMBL13487610 0.88 MCL1 (0.37) PDK2PGRALKSTK10SLK
SCHEMBL13487119 0.88 PDK2 (0.40) PDK2PGRGABRA1GABRG2GABRB3
SCHEMBL13150193 0.88 PDK2 (0.40) PDK2PGRALKGABRA1GABRG2
SCHEMBL15945240 0.86 PDK2 (0.44) PDK2PGRALKGABRA1GABRG2

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 4215/4885ALK 1592/4885

“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.