SCHEMBL3762890

SCHEMBL3762890

COc1c(C)c(C)c(C(C)=O)c(OC)c1OCCC(C)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 8/20 0.39
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL3761724 0.91 KCNA3 (0.37) KCNA3ALDH1A1HTT
SCHEMBL3388974 0.86 MEN1 (0.38) KCNA3ALDH1A1MAPTHTT
SCHEMBL2179854 0.86 SMN1; SMN2 (0.36) KCNA3FFAR1ALDH1A1
SCHEMBL2178762 0.86 KCNA3 (0.35) KCNA3
SCHEMBL3421337 0.85 ALDH1A1 (0.41) ALDH1A1HTT
SCHEMBL3394410 0.85 MEN1 (0.42) ALDH1A1
SCHEMBL3759772 0.84 KCNA3 (0.36) KCNA3
SCHEMBL3764771 0.83 KCNA3 (0.36) KCNA3
SCHEMBL3751717 0.83 KCNA3 (0.39) KCNA3ALDH1A1
SCHEMBL27821780 0.83 TBXA2R (0.34) FFAR1ALDH1A1MAPTHTTSLC6A2

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 KCNA3 1/4885FFAR1 1528/4885ALDH1A1 2549/4885

“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.