SCHEMBL3757791

SCHEMBL3757791

COc1cc(C)c(C(C)=O)c(O)c1OCCCc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALOX5 P09917 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 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
SCHEMBL9972730 0.90 SMN1; SMN2 (0.44) SMN1; SMN2FFAR1FFAR4CNR2CNR1
SCHEMBL3762438 0.88 ALOX5 (0.50) ALOX5SCN9A
SCHEMBL3762026 0.81 KCNA3 (0.36) SMN1; SMN2
SCHEMBL3757784 0.80 SMN1; SMN2 (0.43) SMN1; SMN2FFAR1FFAR4CNR2CNR1
SCHEMBL3767783 0.79 KCNA2 (0.39) CNR2CNR1
SCHEMBL3761768 0.77 SMN1; SMN2 (0.40) PTGS1PTGS2SMN1; SMN2FFAR1FFAR4
SCHEMBL3386404 0.76 SMN1; SMN2 (0.41) PTGS1PTGS2SMN1; SMN2FFAR1FFAR4
SCHEMBL3754114 0.76 KCNA3 (0.41) SMN1; SMN2SCN9A
SCHEMBL3392778 0.76 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL1542014 0.76 PDE4D (0.48) ALOX5SCN9A

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 MET 4831/4885PTGS1 2500/4885PTGS2 2833/4885

“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.