SCHEMBL698620

SCHEMBL698620

CC(=O)CC(=O)OC1CCCC(C)(C(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
NAAA Q02083 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CDC25B P30305 1/20 0.31
HTT P42858 1/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL11408977 0.87 CYP2C19 (0.36) CYP2C19NAAAHTT
SCHEMBL4063062 0.85 EPHX1 (0.32) CYP2C19EPHX1
SCHEMBL118102 0.83 CYP3A4 (0.35) CYP2C19
SCHEMBL28012006 0.83 CYP2C19 (0.38) CYP2C19NAAAHTT
SCHEMBL16457292 0.83 CYP2C19 (0.38) CYP2C19NAAAHTT
SCHEMBL612164 0.83 CYP2C19 (0.38) CYP2C19NAAAHTT
SCHEMBL18825657 0.82 NAAA (0.37) CYP2C19NAAA
SCHEMBL613730 0.81 NAAA (0.36) CYP2C19NAAA
SCHEMBL11692275 0.80 CYP1A2 (0.30)
SCHEMBL11372186 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476472-B2 (3R)-L-menthyl 3-hydroxybutyrate, process for producing the same, and sensate composition comprising the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-02 US claimed
EP-2423290-A1 PROCESS FOR PRODUCING 1-MENTHYL (3S)-3-HYDROXYBUTANOATE AND COMPOSITION FOR STIMULATING SENSE Takasago International Corporation (JP) 2012-02-29 EP claimed
EP-2423291-A1 1-MENTHYL (3R)-3-HYDROXYBUTANOATE, PROCESS FOR PRODUCING SAME, AND COMPOSITION CONTAINING SAME FOR STIMULATING SENSE Takasago International Corporation (JP) 2012-02-29 EP claimed
US-20100303740-A1 PROCESS FOR PRODUCING (3S)-I-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-02 US claimed
US-20100280110-A1 (3R)-L-MENTHYL 3-HYDROXYBUTYRATE, PROCESS FOR PRODUCING THE SAME, AND SENSATE COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-04 US claimed
EP-2423290-B1 COMPOSITION COMPRISING 1-MENTHYL (3S)-3-HYDROXYBUTANOATE FOR STIMULATING SENSE TAKASAGO PERFUMERY CO LTD (JP) 2019-05-22 EP disclosed
US-8986660-B2 Process for producing (3S)-1-menthyl 3-hydroxybutyrate and sensate composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-03-24 US disclosed
US-20140037559-A1 PROCESS FOR PRODUCING (3S)-1-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-02-06 US disclosed
EP-2423291-B1 PROCESS FOR PRODUCING 1-MENTHYL (3R)-3-HYDROXYBUTANOATE AND COMPOSITION CONTAINING SAME FOR STIMULATING SENSE TAKASAGO PERFUMERY CO LTD (JP) 2014-01-01 EP disclosed
US-8586009-B2 Process for producing (3S)-I-menthyl 3-hydroxybutyrate and sensate composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-11-19 US disclosed
US-8476472-B2 (3R)-L-menthyl 3-hydroxybutyrate, process for producing the same, and sensate composition comprising the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-02 US disclosed
US-20120321773-A1 PROCESS FOR PRODUCING (3S)-I-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-12-20 US disclosed
US-8309062-B2 Process for producing (3S)-I-menthyl 3-hydroxybutyrate and sensate composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-11-13 US disclosed
EP-2423290-A1 PROCESS FOR PRODUCING 1-MENTHYL (3S)-3-HYDROXYBUTANOATE AND COMPOSITION FOR STIMULATING SENSE Takasago International Corporation (JP) 2012-02-29 EP disclosed
EP-2423291-A1 1-MENTHYL (3R)-3-HYDROXYBUTANOATE, PROCESS FOR PRODUCING SAME, AND COMPOSITION CONTAINING SAME FOR STIMULATING SENSE Takasago International Corporation (JP) 2012-02-29 EP disclosed
US-20100303740-A1 PROCESS FOR PRODUCING (3S)-I-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-02 US disclosed
JP-2010254621-A METHOD FOR PRODUCING 1-MENTHYL (3S)-3-HYDROXYBUTANOATE AND COMPOSITION FOR IMPARTING COOLING SENSATION TAKASAGO INTERNATL CORP 2010-11-11 JP disclosed
JP-2010254622-A 1-MENTHYL (3R)-3-HYDROXYBUTANOATE, METHOD FOR PRODUCING THE SAME AND COMPOSITION CONTAINING THE SAME FOR IMPARTING COOLING SENSATION TAKASAGO INTERNATL CORP 2010-11-11 JP disclosed
US-20100280110-A1 (3R)-L-MENTHYL 3-HYDROXYBUTYRATE, PROCESS FOR PRODUCING THE SAME, AND SENSATE COMPOSITION COMPRISING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-04 US disclosed
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 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 (4 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-20100303740-A1 PROCESS FOR PRODUCING (3S)-I-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAS1R3, TAS1R1, ASIC3 CYP2C19 1695/4885NAAA 1629/4885MGAM 1448/4885
US-20100280110-A1 (3R)-L-MENTHYL 3-HYDROXYBUTYRATE, PROCESS FOR PRODUCING THE SAME, AND SENSATE COMPOSITION COMPRISING THE SAME LRBA, HCAR3, PHGDH CYP2C19 1516/4885NAAA 1853/4885MGAM 1929/4885
US-20140037559-A1 PROCESS FOR PRODUCING (3S)-1-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAS1R3, TAS1R1, HCAR3 CYP2C19 1693/4885NAAA 1608/4885MGAM 1155/4885
US-20080175800-A1 USE OF SPECIFIC MENTHYL 3-OXOCARBOXYLIC ACID ESTERS AS PHYSIOLOGICALLY ACTIVE COOLING SUBSTANCES ECI1, OTC, MDH2 CYP2C19 203/4885NAAA 708/4885MGAM 2428/4885

“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.