Acetic Acid

Acetic Acid

SCHEMBL696492

CC(=O)O.CC/C=C\CC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
CYP19A1 P11511 4/20 0.50
OXER1 Q8TDS5 4/20 0.50
PPARG P37231 3/20 0.50
MAPT P10636 3/20 0.50
RXRA P19793 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR3 O14843 2/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
PTGS1 P23219 4/20 0.46
F7 P08709 3/20 0.46
F3 P13726 3/20 0.46
PPARA Q07869 3/20 0.46
KMT2A Q03164 2/20 0.46
PPARD Q03181 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
Acetic Acid SCHEMBL696493 1.00 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
Acetic Acid SCHEMBL7533517 1.00 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
Bicarbonate SCHEMBL702474 0.89 ALDH1A1 (0.52) ALDH1A1CYP19A1OXER1PPARGMAPT
Bicarbonate SCHEMBL9579037 0.89 ALDH1A1 (0.52) ALDH1A1CYP19A1OXER1PPARGMAPT
Acetic Acid SCHEMBL17459602 0.86 ALDH1A1 (0.63) ALDH1A1CYP19A1OXER1PPARGMAPT
Acetic Acid SCHEMBL28309147 0.86 ALDH1A1 (0.41) ALDH1A1CYP19A1OXER1PPARGMAPT
Acetic Acid SCHEMBL28254877 0.84
Acetic Acid SCHEMBL11748243 0.84
Cis-3-Hexenol SCHEMBL245795 0.84 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT
Acetic Acid SCHEMBL28963568 0.84 ALDH1A1 (0.50) ALDH1A1CYP19A1OXER1PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113057164-A Grapholitha molesta attractant and attracting core 四川物华农业科技有限公司 2021-07-02 CN claimed
CN-109221118-B Prodenia litura attractant composition 深圳沃华生物农业有限公司 2020-11-27 CN claimed
CN-108432753-A A kind of Phyllo treta striolata attractant and preparation method thereof 福建省农业科学院植物保护研究所 2018-08-24 CN claimed
CN-107568223-A A kind of tea lesser leafhopper attractant 惠州市无龄康态健康科技有限公司 2018-01-12 CN claimed
CN-112739364-B Sleep improving agent 三井农林株式会社 2024-01-23 CN disclosed
CN-117426449-A Processing method of roxburgh rose fruit juice 西南大学 2024-01-23 CN disclosed
CN-105219527-B Tetrahydrofuran derivatives as fragrances 西姆莱斯股份公司 2023-11-14 CN disclosed
CN-116249456-A Brain function improving agent 三井农林株式会社 2023-06-09 CN disclosed
CN-114885942-B Attractant for bemisia tabaci and application thereof 青岛农业大学 2023-04-28 CN disclosed
CN-114885941-A Sex pheromone attractant, attractant core and trapping method for sweet potato brown caterpillars 宁波纽康生物技术有限公司 2022-08-12 CN disclosed
CN-113057164-A Grapholitha molesta attractant and attracting core 四川物华农业科技有限公司 2021-07-02 CN disclosed
CN-113057164-A Grapholitha molesta attractant and attracting core 四川物华农业科技有限公司 2021-07-02 CN disclosed
CN-103798206-A Improved intercepting baffle type longicorn trapper and method for monitoring and controlling longicorn using improved intercepting baffle type longicorn trapper UNIV NORTHEAST FORESTRY 2014-05-21 CN disclosed
EP-2421815-B1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2013-05-01 EP disclosed
US-8236749-B2 Acetals as perfuming ingredients FIRMENICH SA (CH) 2012-08-07 US disclosed
EP-2421815-A1 ACETALS AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2012-02-29 EP disclosed
US-20120010114-A1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2012-01-12 US disclosed
WO-2010122451-A1 ACETALS AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2010-10-28 WO disclosed
CN-1228298-C Perfumery precursor GIVAUDAN SA (CH) 2005-11-23 CN disclosed
CN-1317475-A Perfumery precursor GIVAUDAN SA (CH) 2001-10-17 CN 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 (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-20120010114-A1 ACETALS AS PERFUMING INGREDIENTS CBR1, CBR3, C9 ALDH1A1 131/4885CYP19A1 501/4885OXER1 167/4885

“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.