SCHEMBL3608253

SCHEMBL3608253

COc1c2ccoc2c(OCCN2CCOCC2)c2oc(C)cc(=O)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.64
CYP3A4 P08684 2/20 0.64
HPGD P15428 2/20 0.64
MAPK1 P28482 2/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP2D6 P10635 1/20 0.64
PDE4A P27815 1/20 0.64
CYP2C19 P33261 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CYP1B1 Q16678 1/20 0.64
KCNA3 P22001 4/20 0.59
ADORA3 P0DMS8 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
SYK P43405 1/20 0.46
P2RY12 Q9H244 6/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.41

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
SCHEMBL1344680 0.81 CYP3A4 (0.76) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL12132138 0.81 CYP1A1 (0.76) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL1345196 0.81 CYP3A4 (0.74) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL13920848 0.80 CYP3A4 (0.81) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
Khellin SCHEMBL9655 0.80 CYP3A4 (1.00) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
Khellin SCHEMBL30839911 0.80 CYP3A4 (1.00) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL10300860 0.77 CYP3A4 (0.74) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL13920849 0.76 CYP3A4 (0.81) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL10300857 0.75 CYP1A1 (0.71) CYP1A1CYP3A4HPGDMAPK1ALDH1A1
SCHEMBL10300856 0.74 CYP3A4 (0.82) CYP1A1CYP3A4HPGDMAPK1ALDH1A1

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-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-8309545-B2 Benzofuran potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-11-13 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
WO-2008040057-A1 NOVEL BENZOFURAN 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-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 CYP1A1 2562/4885CYP3A4 2204/4885HPGD 3397/4885

“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.