SCHEMBL891527

SCHEMBL891527

CC1=C(CCC(C)O)C(C)(C)CCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPA1 O75762 5/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
RARA P10276 1/20 0.41
RXRA P19793 1/20 0.41
ACE2 Q9BYF1 3/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
ALOX5 P09917 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 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
SCHEMBL18727653 0.86 ALDH1A1 (0.43) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL10434261 0.85 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL10434262 0.85 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL3148661 0.83 MEN1 (0.44) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL3233226 0.83 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL21574083 0.82 MEN1 (0.46) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL10781690 0.82 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL11793969 0.81 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL20610551 0.81 ALDH1A1 (0.44) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL7650224 0.81 ALDH1A1 (0.44) ALDH1A1GAAMAPTNPSR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649184-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
EP-3649183-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2020-05-13 EP claimed
WO-2019010263-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
WO-2019010265-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2019-01-10 WO claimed
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-11958859-B2 Use of pyridoxal acetal salts as water-triggered pro-fragrances FLORIDA GULF COAST UNIVERSITY BOARD OF TRUSTEES (US) 2024-04-16 US disclosed
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
EP-3416729-B1 PRO-FRAGRANCE COMPOSITION AQDOT LTD (GB) 2023-09-20 EP disclosed
US-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
US-20210053980-A1 Use of Pyridoxal Acetal Salts as Water-Triggered Profragrances VITACHEM LLC (US) 2021-02-25 US disclosed
WO-2002096850-A1 PRECURSORS FOR KETONES AND ALDEHYDES GIVAUDAN SA (CH) 2002-12-05 WO disclosed
EP-1262473-A1 Precursors for fragrant ketones and fragrant aldehydes Givaudan SA (CH) 2002-12-04 EP disclosed
JP-2002226416-A (-)-4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)BUTAN-2-OL, METHOD FOR PRODUCING THE SAME AND PERFUME COMPOSITION COMPRISING THE SAME TOYOTAMA KORYO KK 2002-08-14 JP disclosed
JP-2002226415-A (+)-4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)BUTAN-2-OL, METHOD FOR PRODUCING THE SAME AND PERFUME COMPOSITION COMPRISING THE SAME TOYOTAMA KORYO KK 2002-08-14 JP disclosed
JP-2002226416-A (-)-4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)BUTAN-2-OL, METHOD FOR PRODUCING THE SAME AND PERFUME COMPOSITION COMPRISING THE SAME TOYOTAMA KORYO KK 2002-08-14 JP disclosed
JP-2002226415-A (+)-4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)BUTAN-2-OL, METHOD FOR PRODUCING THE SAME AND PERFUME COMPOSITION COMPRISING THE SAME TOYOTAMA KORYO KK 2002-08-14 JP disclosed
US-5464865-A Enzyme inhibitors as antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1995-11-07 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 (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-11958859-B2 Use of pyridoxal acetal salts as water-triggered pro-fragrances PLPBP, PNPO, ADH5 ALDH1A1 394/4885GAA 3583/4885MAPT 2016/4885
US-20210053980-A1 Use of Pyridoxal Acetal Salts as Water-Triggered Profragrances PLPBP, PNPO, VKORC1 ALDH1A1 389/4885GAA 3167/4885MAPT 1839/4885

“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.