SCHEMBL296507

SCHEMBL296507

CC(=O)OC(C)CC(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
NPSR1 Q6W5P4 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
OPRM1 P35372 2/20 0.38
TSHR P16473 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL30492628 1.00 KCNH2 (0.48) KCNH2NPSR1CYP2C19HIF1ATAAR1
SCHEMBL27637221 0.84 KCNH2 (0.39) KCNH2NPSR1CYP2C19HIF1ATAAR1
SCHEMBL28711582 0.81 THRB (0.38) KCNH2NPSR1CYP2C19HIF1ATAAR1
Acetic Acid SCHEMBL28441452 0.77 CYP2C19 (0.44) KCNH2CYP2C19HIF1ATAAR1CYP1A2
SCHEMBL18540489 0.77 TAAR1 (0.47) CYP2C19HIF1ATAAR1ALDH1A1CYP3A4
Acetic Acid SCHEMBL1940956 0.73 CYP2C19 (0.44) KCNH2CYP2C19HIF1ATAAR1ALDH1A1
SCHEMBL11588039 0.73 CYP2C19 (0.41) KCNH2CYP2C19HIF1ATAAR1ALDH1A1
SCHEMBL9028692 0.73 ALDH1A1 (0.52) TAAR1ALDH1A1CYP1A2TSHR
SCHEMBL5617244 0.73 ALDH1A1 (0.52) TAAR1ALDH1A1CYP1A2TSHR
SCHEMBL3505882 0.73 ALDH1A1 (0.52) TAAR1ALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP claimed
EP-4655373-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2025-12-03 EP claimed
WO-2025053198-A1 HALF-DRY SMELL COMPOSITION AND MASKING FRAGRANCE COMPOSITION 高砂香料工業株式会社 2025-03-13 WO claimed
WO-2025051371-A1 A FRAGRANCE PASTILLE SYMRISE AG (DE) 2025-03-13 WO claimed
WO-2025045354-A1 A FRAGRANCE TABLET SYMRISE AG (DE) 2025-03-06 WO claimed
WO-2025045353-A1 A FRAGRANCE POD SYMRISE AG (DE) 2025-03-06 WO claimed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 WO claimed
EP-4446001-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-10-16 EP claimed
WO-2024156688-A1 BIODEGRADABLE PERFUME COMPOSITION GIVAUDAN SA (CH) 2024-08-02 WO claimed
EP-4407019-A1 BIODEGRADABLE PERFUME COMPOSITION Givaudan SA (CH) 2024-07-31 EP claimed
WO-2016049404-A1 SUBSTRATES COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049455-A1 PERSONAL CARE COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
US-20160090555-A1 CLEANING AND/OR TREATMENT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2016-03-31 US claimed
WO-2016049407-A1 ABSORBENT ARTICLE COMPRISING MALODOR REDUCTION COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
WO-2016049398-A1 FRESHENING COMPOSITIONS AND DEVICES COMPRISING SAME THE PROCTER & GAMBLE COMPANY (US) 2016-03-31 WO claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
US-20100210496-A1 Fragrance Effect of Perfume Esters BESSLER CORNELIUS 2010-08-19 US claimed
US-6780835-B2 DEODORANT FOR TREATING TEXTILES INCORPORATING SPANDEX QUEST INTERNATIONAL B.V. (NL) 2004-08-24 US claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP 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 (1 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-20160089317-A1 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS COMPRISING MALODOR REDUCTION COMPOSITIONS LPO, QDPR, TYR KCNH2 3372/4885NPSR1 1719/4885CYP2C19 352/4885

“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.