SCHEMBL13488010

SCHEMBL13488010

CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)nc(-c5ccccc5)c4)c4ccc(-c5cccc6ccccc56)cc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.37
ENPP3 O14638 1/20 0.37
FLT3 P36888 2/20 0.35
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
PDK2 Q15119 5/20 0.33
PSD A5PKW4 1/20 0.33
NTSR1 P30989 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
ACACA Q13085 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
SCHEMBL13487632 0.95 ENPP1 (0.36) ENPP1ENPP3FLT3MCL1ACMSD
SCHEMBL13488159 0.92 PDK2 (0.39) PDK2ACACAKDM4EALDH1A1MAPT
SCHEMBL13487925 0.91 PDK2 (0.41) PDK2ACACAKDM4EALDH1A1MAPT
SCHEMBL13488012 0.91 MEN1 (0.35) ENPP1ENPP3FLT3MCL1ACMSD
SCHEMBL13487204 0.90 ENPP1 (0.36) ENPP1ENPP3FLT3MCL1ACMSD
SCHEMBL10300998 0.90 PDK2 (0.39) PDK2ACACAHPGDSMN1; SMN2MEN1
SCHEMBL19271372 0.90 PDK2 (0.40) PDK2ACACAKDM4EALDH1A1MAPT
SCHEMBL13488083 0.89 CTRC (0.38) PDK2ACACAAKR1C3AKR1C2TSHR
SCHEMBL13487781 0.89 PDK2 (0.37) PDK2ACACAKDM4EALDH1A1MAPT
SCHEMBL29295617 0.89 MCL1 (0.36) ENPP1ENPP3MCL1ACMSDPDK2

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 ENPP1 626/4885ENPP3 1230/4885FLT3 3717/4885

“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.