SCHEMBL4386476

SCHEMBL4386476

CCC(Oc1c2occc2c(C)c2c(=O)cc(CS(C)(=O)=O)oc12)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 4/20 0.37
IGLV6-57 P01721 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE4A P27815 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1B1 Q16678 1/20 0.36
MAPT P10636 2/20 0.32
ADORA3 P0DMS8 3/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4386477 0.79 KCNA3 (0.46) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL11006047 0.71 CYP3A4 (0.55) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL11013011 0.70 CYP3A4 (0.51) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL4388540 0.69 KCNA3 (0.42) KCNA3IGLV6-57ALDH1A1HPGDCYP1A1
SCHEMBL4388536 0.69 KCNA3 (0.42) KCNA3IGLV6-57ALDH1A1HPGDCYP1A1
SCHEMBL4390506 0.65 KCNA3 (0.46) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL4380645 0.65 KCNA3 (0.46) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL3607100 0.63 KCNA3 (0.61) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL3609628 0.63 CYP3A4 (0.82) KCNA3ALDH1A1HPGDCYP1A1CYP1A2
SCHEMBL3615942 0.62 KCNA3 (0.56) KCNA3ALDH1A1HPGDCYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US claimed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US claimed
WO-2008040058-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 WO claimed
US-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US disclosed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 US disclosed
WO-2008040058-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2008-04-10 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-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNK3, KCNA3, KCND3 KCNA3 2/4885IGLV6-57 3557/4885ALDH1A1 3858/4885

“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.