SCHEMBL2968131

SCHEMBL2968131

CC(=O)C(C(=O)O)C1CC(C)CCC1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.49
TRPM8 Q7Z2W7 5/20 0.47
TRPA1 O75762 2/20 0.47
KCNA5 P22460 1/20 0.38
TRPV1 Q8NER1 4/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL1030886 0.91 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951257 0.91 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4583555 0.82 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL6525832 0.82 EPHX1 (0.45) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL3274993 0.80 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL9951715 0.80 EPHX1 (0.53) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL4583566 0.80 EPHX1 (0.43) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL851820 0.79 EPHX1 (0.51) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL23166658 0.77 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1
SCHEMBL5495639 0.77 EPHX1 (0.50) EPHX1TRPM8TRPA1KCNA5TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2187871-B1 MIXTURES COMPRISING PELLITORIN AND USES THEREOF SYMRISE AG (DE) 2016-04-13 EP claimed
EP-1958627-A2 Use of certain menthyl-3-oxocarbonic acid esters as physiological cooling agents Symrise GmbH & Co. KG (DE) 2008-08-20 EP claimed
US-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-07-24 US claimed
EP-2187871-B1 MIXTURES COMPRISING PELLITORIN AND USES THEREOF SYMRISE AG (DE) 2016-04-13 EP disclosed
EP-2033688-B1 Oxalic acid derivatives and their use as physiological cooling agents SYMRISE AG (DE) 2012-10-17 EP disclosed
US-20100273887-A1 MIXTURES COMPRISING PELLITORIN AND USES THEREOF SYMRISE GMBH & CO. KG (DE) 2010-10-28 US disclosed
EP-2113771-A2 Device, use of the device and method for producing a liquid flavour additive condensate Symrise GmbH & Co. KG (DE) 2009-11-04 EP disclosed
EP-2033688-A2 Oxalic acid derivatives and their use as physiological cooling agents Symrise GmbH & Co. KG (DE) 2009-03-11 EP disclosed
EP-1958627-A2 Use of certain menthyl-3-oxocarbonic acid esters as physiological cooling agents Symrise GmbH & Co. KG (DE) 2008-08-20 EP disclosed
EP-1958627-A2 Use of certain menthyl-3-oxocarbonic acid esters as physiological cooling agents Symrise GmbH & Co. KG (DE) 2008-08-20 EP 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-20100273887-A1 MIXTURES COMPRISING PELLITORIN AND USES THEREOF NISCH, TAS2R40, TAS2R60 EPHX1 3306/4885TRPM8 55/4885TRPA1 230/4885
US-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES ECI1, OTC, MDH2 EPHX1 85/4885TRPM8 528/4885TRPA1 1499/4885

“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.