SCHEMBL119627

SCHEMBL119627

CCCCCOCc1ccc(O)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2B6 P20813 1/20 0.56
HTR1A P08908 1/20 0.56
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
PTPN1 P18031 1/20 0.53

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
SCHEMBL29873001 1.00 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL29873336 0.98 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL117978 0.98 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
Alcohol SCHEMBL14358226 0.97 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
Alcohol SCHEMBL579289 0.96 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL14763888 0.95 PTPN1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL29602123 0.95 PTPN1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL117401 0.95 PTPN1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
Alcohol SCHEMBL15272602 0.94 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
Hydrochloric Acid SCHEMBL28876397 0.94 TAAR1 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3453364-B1 HEAT GENERATOR KOBAYASHI PHARMACEUTICAL CO LTD (JP) 2022-08-24 EP claimed
EP-3348242-B1 HEATING COMPRESS KOBAYASHI PHARMACEUTICAL CO LTD (JP) 2022-06-29 EP claimed
EP-3569671-B1 METHYLMENTHOL DERIVATIVE AND COOL-SENSATION IMPARTER COMPOSITION CONTAINING SAME TAKASAGO PERFUMERY CO LTD (JP) 2022-06-22 EP claimed
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-05-31 US claimed
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 claimed
US-11241331-B2 Heating compress KOBAYASHI PHARMACEUTICAL CO., LTD. (JP) 2022-02-08 US claimed
US-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-02-01 US claimed
CN-108289754-B Heating appliance 小林制药株式会社 2021-09-07 CN claimed
US-10993833-B2 Heat generator KOBAYASHI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US claimed
US-10980665-B2 Heat generator KOBAYASHI PHARMACEUTICAL CO., LTD. (JP) 2021-04-20 US claimed
US-20080253973-A1 SENSATION MODIFYING TOPICAL COMPOSITION FOAM FOAMIX LTD. (IL) 2008-10-16 US claimed
EP-1973422-A1 COMPOSITIONS PROVIDING A HEATING SENSATION FOR ORAL OR DERMAL DELIVERY Cadbury Adams USA LLC (US) 2008-10-01 EP claimed
EP-1912516-A2 SENSATION MASKING COMPOSITION Takasago International Corporation (USA) (US) 2008-04-23 EP claimed
EP-1885275-A1 TOPICAL WARMING COMPOSITION Takasago International Corporation (USA) (US) 2008-02-13 EP claimed
WO-2007126430-A1 COMPOSITIONS PROVIDING A HEATING SENSATION FOR ORAL OR DERMAL DELIVERY CADBURY ADAMS USA LLC (US) 2007-11-08 WO claimed
US-20070148103-A1 Compositions providing a heating sensation for oral or dermal delivery CADBURY ADAMS USA, LLC. 2007-06-28 US claimed
WO-2007022056-A2 SENSATION MASKING COMPOSITION TAKASAGO INTERNATIONAL CORP. (USA) (US) 2007-02-22 WO claimed
US-20070036733-A1 Sensation masking composition TAKASAGO INTERNATIONAL CORP. (USA) (US) 2007-02-15 US claimed
WO-2006130710-A1 TOPICAL WARMING COMPOSITION TAKASAGO INTERNATIONAL CORP. (USA) (US) 2006-12-07 WO claimed
US-20060269500-A1 Topical warming composition TAKASAGO INTERNATIONAL CORP. (USA) (US) 2006-11-30 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070148103-A1 Compositions providing a heating sensation for oral or dermal delivery TAS2R8, TAS2R60, TAS2R20 CYP1A2 2289/4885CYP3A4 3472/4885CYP2C9 2003/4885
US-20070036733-A1 Sensation masking composition TRPA1, TRPV1, TRPM5 CYP1A2 1951/4885CYP3A4 1873/4885CYP2C9 2299/4885
US-20060269500-A1 Topical warming composition CUTA, NACA, LSM14A CYP1A2 1601/4885CYP3A4 3092/4885CYP2C9 2076/4885
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative CNR2, ADRB2, TRPA1 CYP1A2 1421/4885CYP3A4 4632/4885CYP2C9 3242/4885
US-20080253973-A1 SENSATION MODIFYING TOPICAL COMPOSITION FOAM TRPA1, GPR35, TRPV1 CYP1A2 1644/4885CYP3A4 2868/4885CYP2C9 2547/4885
US-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TRPM8, TRPM4, TRPM2 CYP1A2 1298/4885CYP3A4 1992/4885CYP2C9 1504/4885

“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.