SCHEMBL698245

SCHEMBL698245

CC(O)CC(=O)OC1(C)CCC(C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33

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
Butyric Acid SCHEMBL27836623 0.89 FFAR3 (0.33)
SCHEMBL30152463 0.89 EP300 (0.34) CYP19A1
SCHEMBL27868526 0.84 ALDH1A1 (0.35) CYP19A1
SCHEMBL30152433 0.81 ALDH1A1 (0.35) CYP19A1
SCHEMBL698621 0.81 MGAM (0.35) CYP19A1
SCHEMBL18825658 0.79 LMNA (0.35)
SCHEMBL4063068 0.79 SCN1A (0.30)
SCHEMBL31149439 0.79 SCN1A (0.30)
SCHEMBL5012962 0.78
SCHEMBL30152535 0.78 LMNA (0.40) CYP19A1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4368035-A1 FLAVORING-LOADED COMPONENT FOR TOBACCO PRODUCT AND PRODUCTION METHOD FOR SAME Japan Tobacco, Inc. (JP) 2024-05-15 EP disclosed
US-20240122230-A1 FLAVORING-LOADED COMPONENT FOR TOBACCO PRODUCT AND PRODUCTION METHOD FOR SAME JAPAN TOBACCO INC. (JP) 2024-04-18 US disclosed
EP-4144229-A1 SHEET FOR SMOKING ARTICLE Japan Tobacco Inc. (JP) 2023-03-08 EP disclosed
CN-110168038-B Methyl menthol derivative and cold sensate composition containing same 高砂香料工业株式会社 2022-05-27 CN disclosed
CN-109069381-B 10-hydroxystearic acid composition 帝斯曼知识产权资产管理有限公司 2021-11-30 CN disclosed
US-10786453-B2 10-hydroxystearic acid compositions DSM IP ASSETS B.V. (NL) 2020-09-29 US disclosed
CN-111212884-A Cold-sensitive composition containing 2,2, 6-trimethylcyclohexanecarboxylic acid derivative 高砂香料工业株式会社 2020-05-29 CN disclosed
CN-107532063-B Methylmenthol derivative and cold-sensitive composition containing the same 高砂香料工业株式会社 2020-03-10 CN disclosed
CN-110168038-A Methyl menthol derivative and cold feeling agent composition containing it 高砂香料工业株式会社 2019-08-23 CN disclosed
US-20190160006-A1 10-HYDROXYSTEARIC ACID COMPOSITIONS DSM IP ASSETS B.V. (NL) 2019-05-30 US disclosed
US-20130247654-A1 METHOD FOR EVALUATING SENSORY STIMULUS COMPONENT TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 US disclosed
EP-2642287-A2 Method for evaluating sensory stimulus component Takasago International Corporation (JP) 2013-09-25 EP 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-8309062-B2 Process for producing (3S)-I-menthyl 3-hydroxybutyrate and sensate composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-11-13 US disclosed
CN-102448317-A Confectioneries providing mouth-moistening refreshment CADBURY ADAMS USA LLC 2012-05-09 CN 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-20110281945-A1 GASTRIC ACID SECRETION INHIBITOR, AND POTASSIUM CHANNEL INHIBITOR SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORPORATION (JP) 2011-11-17 US disclosed
US-20100303740-A1 PROCESS FOR PRODUCING (3S)-I-MENTHYL 3-HYDROXYBUTYRATE AND SENSATE COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-02 US 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

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 CYP19A1 1572/4885
US-10786453-B2 10-hydroxystearic acid compositions LIPA, DHCR7, SGMS1 CYP19A1 1050/4885
US-20100280110-A1 (3R)-L-MENTHYL 3-HYDROXYBUTYRATE, PROCESS FOR PRODUCING THE SAME, AND SENSATE COMPOSITION COMPRISING THE SAME LRBA, HCAR3, PHGDH CYP19A1 1135/4885
US-20190160006-A1 10-HYDROXYSTEARIC ACID COMPOSITIONS LIPA, DHCR7, SGMS1 CYP19A1 1050/4885

“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.