SCHEMBL13615930

SCHEMBL13615930

c1csc(-c2ccc3c4ccccc4c4c5ccccc5c5ccccc5c4c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
ALK Q9UM73 1/20 0.43
LTA4H P09960 1/20 0.43
ERN1 O75460 1/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
MMP2 P08253 3/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP13 P45452 2/20 0.42
PDK2 Q15119 1/20 0.41
PGR P06401 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SLC6A11 P48066 1/20 0.41
PRMT6 Q96LA8 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL13615898 1.00 KCNH2 (0.50) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL13615737 1.00 KCNH2 (0.50) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL13615853 0.94 KCNH2 (0.55) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL12402896 0.84 KCNH2 (0.57) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL12405261 0.81 KCNH2 (0.53) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL28465179 0.81 KCNH2 (0.46) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL13629783 0.79 KCNH2 (0.34) KCNH2ALKERN1HTR1DHTR1B
SCHEMBL15203029 0.79 KCNH2 (0.47) KCNH2ALKLTA4HERN1HTR1D
SCHEMBL12405234 0.79 PGR (0.49) KCNH2ALKLTA4HERN1PGR
SCHEMBL12277708 0.79 PGR (0.49) KCNH2ALKLTA4HERN1PGR

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-20090273278-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-11-05 US disclosed
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 740/4885ALK 1571/4885LTA4H 533/4885

“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.