SCHEMBL3757808

SCHEMBL3757808

COc1c(Cl)c(C)c(C(C)=O)c(O)c1OCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.45
SCN9A Q15858 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
ALOX5 P09917 1/20 0.39
KCNA3 P22001 1/20 0.39
KCNA2 P16389 1/20 0.38
KCNA5 P22460 1/20 0.38
KCNA1 Q09470 1/20 0.38

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
SCHEMBL3767783 0.89 KCNA2 (0.39) PDE4DKCNA3KCNA2KCNA5KCNA1
SCHEMBL3762806 0.86 PPARG (0.46) PDE4DPPARGPPARDPPARAALOX5
SCHEMBL3763110 0.85 PDE4D (0.43) PDE4DSCN9AKCNA3
SCHEMBL1542868 0.81 GRIN2D (0.40) PDE4DSCN9A
SCHEMBL2179672 0.81 LMNA (0.41) PDE4DSCN9APPARGPPARDPPARA
SCHEMBL3392942 0.80 PDE4D (0.39) PDE4DSCN9AKCNA3
SCHEMBL13870626 0.80 HRH3 (0.45) SCN9A
SCHEMBL1542014 0.79 PDE4D (0.48) PDE4DSCN9AALOX5
SCHEMBL3392805 0.79 PDE4D (0.39) PDE4DSCN9A
SCHEMBL3389899 0.78 ALDH1A1 (0.47) PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-8202513-B2 Aryl potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-06-19 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
US-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-11-25 US disclosed
WO-2009043117-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-04-09 WO 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-20100297077-A1 NOVEL ARYL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNH3 PDE4D 1137/4885SCN9A 106/4885PPARG 2790/4885

“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.