SCHEMBL580129

SCHEMBL580129

COc1cc(COCCC(C)C)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.58
TTR P02766 1/20 0.58
JUN P05412 1/20 0.58
NR3C1 P04150 1/20 0.58
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
PTPN1 P18031 2/20 0.53
TSHR P16473 3/20 0.51
TAAR1 Q96RJ0 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP3A4 P08684 3/20 0.51
MMP1 P03956 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL31512861 1.00 FOS (0.58) FOSTTRJUNNR3C1HSD17B1
Alcohol SCHEMBL580127 0.96 FOS (0.54) FOSTTRJUNNR3C1HSD17B1
SCHEMBL21402273 0.88 ALOX15 (0.58) FOSTTRJUNALOX15ALOX12
Vanillyl Alcohol SCHEMBL580130 0.87 FOS (0.56) FOSTTRJUNNR3C1HSD17B1
SCHEMBL31512877 0.85 ALDH1A1 (0.45) FOSTTRJUNNR3C1HSD17B1
SCHEMBL31512860 0.84 FOS (0.61) FOSTTRJUNNR3C1HSD17B1
SCHEMBL116330 0.84 FOS (0.61) FOSTTRJUNNR3C1HSD17B1
SCHEMBL29649661 0.84 PTPN1 (0.66) FOSTTRJUNNR3C1HSD17B1
SCHEMBL1272446 0.84 PTPN1 (0.66) FOSTTRJUNNR3C1HSD17B1
SCHEMBL1661296 0.83 PTPN1 (0.57) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115721567-A Thermal wet tissue and preparation method thereof 芜湖悠派护理用品科技股份有限公司 2023-03-03 CN 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-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-02-01 US claimed
CN-113389055-A Cool or heat-sensitive microcapsule, nonwoven fabric and absorbent article 上海护理佳实业有限公司 2021-09-14 CN claimed
WO-2021134976-A1 ANTI-BITING AGENT, ANTI-BITING MATERIAL, ANTI-BITING ARTICLE AND PREPARATION METHOD THEREFOR 公牛集团股份有限公司 2021-07-08 WO claimed
CN-111962292-A Spontaneous heating material body and spontaneous heating activated carbon non-woven fabric hair cap 上海创始实业(集团)有限公司 2020-11-20 CN claimed
US-20200297607-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE TAKASAGO INTERNATIONAL CORPORATION (JP) 2020-09-24 US claimed
EP-3699250-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE Takasago International Corporation (JP) 2020-08-26 EP claimed
WO-2006091409-A1 CONFECTIONERY PRODUCTS CONTAINING CAFFEINE THE PROCTER & GAMBLE COMPANY (US) 2006-08-31 WO claimed
US-20060188613-A1 Confectionery products containing caffeine THE PROCTER & GAMBLE COMPANY 2006-08-24 US claimed
EP-1693057-A1 Confectionery products containing caffeine THE PROCTER & GAMBLE COMPANY (US) 2006-08-23 EP claimed
EP-0977554-B1 CONFECTIONERY COMPOSITIONS PROCTER & GAMBLE (US) 2004-06-16 EP claimed
US-6432441-B1 ENCAPSULATION OF ANALGESICS, EXPECTORANTS OR ANTITUSSIVE AGENTS WITHIN PHOSPHATIDES TO PROLONG DRUG DELIVERY THE PROCTER & GAMBLE COMPANY 2002-08-13 US claimed
US-6306429-B1 THROAT DROPS SUITABLE FOR RELIEF OF COUGH AND COLD SYMPTOMS THE PROCTER & GAMBLE COMPANY 2001-10-23 US claimed
EP-0977554-A1 CONFECTIONERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-02-09 EP claimed
WO-1998047483-A1 CONFECTIONERY COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-10-29 WO claimed
EP-0837862-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-04-29 EP claimed
WO-1997002273-A1 WARMING COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1997-01-23 WO 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 (3 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-20200297607-A1 COOL-SENSATION IMPARTER COMPOSITION CONTAINING 2,2,6-TRIMETHYLCYCLOHEXANECARBOXYLIC ACID DERIVATIVE CNR2, ADRB2, TRPA1 FOS 3650/4885TTR 1912/4885JUN 2864/4885
US-11344488-B2 Cool-sensation imparter composition containing 2,2,6-trimethylcyclohexanecarboxylic acid derivative CNR2, ADRB2, TRPA1 FOS 3650/4885TTR 1912/4885JUN 2864/4885
US-11236042-B2 Methylmenthol derivative and cool-sensation imparter composition containing same TRPM8, TRPM4, TRPM2 FOS 3824/4885TTR 3545/4885JUN 3221/4885

“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.