SCHEMBL13629793

SCHEMBL13629793

C1=CSC(c2ccc3c4ccc(-c5cccs5)cc4c4c5cc(-c6cccs6)ccc5c5ccc(C6CC=CS6)cc5c4c3c2)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
HTR1D P28221 5/20 0.34
HTR1B P28222 5/20 0.34
CDK2 P24941 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKDC P78527 2/20 0.32
BACE1 P56817 1/20 0.32
ERN1 O75460 1/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
ALK Q9UM73 1/20 0.32
LTA4H P09960 1/20 0.31
PGR P06401 1/20 0.31
SLC6A11 P48066 1/20 0.31
NR4A2 P43354 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
SCHEMBL13629783 0.96 KCNH2 (0.34) KCNH2HTR1DHTR1BCDK2GSK3A
SCHEMBL14221591 0.85 SLC6A9 (0.32) KCNH2HTR1DHTR1BBACE1ALK
SCHEMBL12946118 0.82 LTA4H (0.42) KCNH2BACE1HDAC2LTA4H
SCHEMBL12943080 0.82 NR4A2 (0.38) KCNH2HTR1DHTR1BPRKDCBACE1
SCHEMBL14310760 0.81 PGR (0.39) KCNH2BACE1ERN1HDAC3HDAC1
SCHEMBL12310237 0.81 BACE1 (0.35) KCNH2CDK2GSK3AGSK3BBACE1
SCHEMBL14221589 0.78 PRMT6 (0.34) LTA4H
SCHEMBL13615853 0.78 KCNH2 (0.55) KCNH2HTR1DHTR1BCDK2PRKDC
SCHEMBL13267896 0.74 HDAC2 (0.43) KCNH2GSK3BBACE1ERN1HDAC3
SCHEMBL13615898 0.73 KCNH2 (0.50) KCNH2HTR1DHTR1BERN1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same OCIAD1, OCIAD2, ORMDL3 KCNH2 740/4885HTR1D 1000/4885HTR1B 3321/4885

“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.