SCHEMBL8323656

SCHEMBL8323656

CC(C)(C)C(=O)Oc1ccc(O)c(C=O)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.60
ELANE P08246 13/20 0.51
PRTN3 P24158 1/20 0.47
CA2 P00918 5/20 0.45
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44

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
SCHEMBL8409559 0.87 TRIM24 (0.60) ERN1ELANEPRTN3CA2TRIM24
SCHEMBL7531725 0.83 ELANE (0.50) ELANEPRTN3CA2
SCHEMBL10774506 0.81 ERN1 (0.66) ERN1TRIM24TYRTRIM33
SCHEMBL19558305 0.78 ELANE (0.56) ELANECA2
SCHEMBL19718952 0.78 ELANE (0.68) ELANECA2
SCHEMBL6665857 0.77 ERN1 (0.60) ERN1ELANETRIM24TYRTRIM33
SCHEMBL4876550 0.77 ERN1 (0.60) ERN1ELANECA2TRIM24TYR
SCHEMBL19335493 0.77 ELANE (0.55) ELANECA2
SCHEMBL18157016 0.77 NR1H4 (0.60) ELANETYR
SCHEMBL21499751 0.76 ERN1 (0.54) ERN1CA2TRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350076-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-01-08 US disclosed
US-8350076-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-01-08 US disclosed
US-20090030056-A1 NOVEL SODIUM CHANNEL BLOCKERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-01-29 US disclosed
US-20090030056-A1 NOVEL SODIUM CHANNEL BLOCKERS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-01-29 US disclosed
US-7439383-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-21 US disclosed
US-7439383-B2 Sodium channel blockers UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-10-21 US disclosed
EP-0733033-B1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LTD (GB) 1999-12-22 EP disclosed
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 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-20090030056-A1 NOVEL SODIUM CHANNEL BLOCKERS SCNN1B, SCN1B, KCNN2 ERN1 4310/4885ELANE 4200/4885PRTN3 2598/4885

“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.