SCHEMBL10300856

SCHEMBL10300856

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.82
HPGD P15428 4/20 0.82
CYP1A1 P04798 3/20 0.82
MAPK1 P28482 3/20 0.82
CYP1A2 P05177 3/20 0.82
ALDH1A1 P00352 3/20 0.82
CYP1B1 Q16678 2/20 0.82
CYP2D6 P10635 2/20 0.82
PDE4A P27815 2/20 0.82
CYP2C19 P33261 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
ADORA3 P0DMS8 3/20 0.61
THRB P10828 1/20 0.61
KCNA3 P22001 5/20 0.58
MAPT P10636 2/20 0.56
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PTGS1 P23219 3/20 0.46
PTGS2 P35354 3/20 0.46
ALOX15 P16050 1/20 0.46

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
Khellin SCHEMBL30839911 0.90 CYP3A4 (1.00) CYP3A4HPGDCYP1A1MAPK1CYP1A2
Khellin SCHEMBL9655 0.90 CYP3A4 (1.00) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL1344606 0.86 CYP3A4 (0.78) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL3609628 0.83 CYP3A4 (0.82) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL13920848 0.83 CYP3A4 (0.81) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL13920849 0.81 CYP3A4 (0.81) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL1344680 0.80 CYP3A4 (0.76) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL12132138 0.80 CYP1A1 (0.76) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL10300855 0.80 CYP3A4 (0.53) CYP3A4HPGDCYP1A1MAPK1CYP1A2
SCHEMBL10300860 0.80 CYP3A4 (0.74) CYP3A4HPGDCYP1A1MAPK1CYP1A2

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 4 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-8217189-B2 Chromenone potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2012-07-10 US disclosed
US-20100087430-A1 NOVEL BENZOFURAN POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2010-04-08 US disclosed
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-03 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 (2 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 CYP3A4 2204/4885HPGD 3397/4885CYP1A1 2562/4885
US-20090298931-A1 NOVEL CHROMENONE POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNK3, KCNA3, KCND3 CYP3A4 2101/4885HPGD 3387/4885CYP1A1 2690/4885

“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.