Acetic Acid

Acetic Acid

SCHEMBL4134829

CC(=O)O.CCCCCC1C(=O)CCC1C

nearest known ligand 0.44

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
PTGER2 P43116 6/20 0.44
PTGER3 P43115 3/20 0.44
PTGER4 P35408 2/20 0.44
HTT P42858 2/20 0.41
TLR4 O00206 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
ELANE P08246 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PRKCA P17252 2/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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 SCHEMBL18130856 1.00 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTLR4
Acetic Acid SCHEMBL1482741 1.00 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL158776 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8964738 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8965184 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8964734 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8965187 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8600712 0.90 CYP1A2 (0.46) PTGER2PTGER3PTGER4HTTTSHR
Acetic Acid Methyl Ester SCHEMBL28101633 0.89 HTT (0.45) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL1614409 0.86 HTT (0.40) PTGER2PTGER3PTGER4HTTTLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209281-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-06-27 US claimed
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2024-05-02 US claimed
EP-4330361-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-03-06 EP claimed
EP-4305135-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE Symrise AG (DE) 2024-01-17 EP claimed
CN-117203313-A 2, 4-dimethyloctan-2, 7-dien-4-ol as perfume 西姆莱斯股份公司 2023-12-08 CN claimed
CN-116964182-A 2, 6-trimethyl-pinan-2-ol as fragrance 西姆莱斯股份公司 2023-10-27 CN claimed
WO-2022228658-A1 2,4-DIMETHYLOCTA-2,7-DIEN-4-OL AS AN ODORIFEROUS SUBSTANCE SYMRISE AG (DE) 2022-11-03 WO claimed
EP-0394810-B1 PROCESS OF SCENTING FIRMENICH SA (CH) 1993-10-13 EP claimed
US-5116656-A Mixture with another ingredient to enhance efficiency of transfer FIRMENICH SA (CH) 1992-05-26 US claimed
US-12529008-B2 Natural semi-solid perfume EXPRESSIONS PARFUMEES (FR) 2026-01-20 US disclosed
US-12290583-B2 Perfuming complex, perfuming composition and perfumed aqueous composition of natural origin EXPRESSIONS PARFUMÉES (FR) 2025-05-06 US disclosed
EP-4489721-A1 READY-FOR-USE MILKY, VISCOUS AND STICKY PERFUME COMPLEX AND ASSOCIATED PERFUMED COMPOSITION Expressions Parfumees (FR) 2025-01-15 EP disclosed
US-20240415745-A1 PERFUMING COMPLEX, PERFUMING COMPOSITION AND PERFUMED AQUEOUS COMPOSITION OF NATURAL ORIGIN EXPRESSIONS PARFUMÉES (FR) 2024-12-19 US disclosed
EP-4419065-A1 FRAGRANCING COMPLEX, FRAGRANCING COMPOSITION AND FRAGRANCED AQUEOUS COMPOSITION OF NATURAL ORIGIN Expressions Parfumees (FR) 2024-08-28 EP disclosed
US-20180112152-A1 PROCESS FOR PREPARING POLYUREA MICROCAPSULES FIRMENICH SA (CH) 2018-04-26 US disclosed
US-20180078468-A1 MICROCAPSULES WITH HIGH DEPOSITION ON SURFACES FIRMENICH SA (CH) 2018-03-22 US disclosed
US-20090081755-A1 FRAGRANT CONSUMER PRODUCTS COMPRISING OXIDIZING AGENTS HENKEL AG & CO. KG A (DE) 2009-03-26 US disclosed
US-6479456-B1 PERFUMED PRODUCTS (SUCH AS BODY CARE PRODUCTS, DETERGENTS ETC.) NOT ONLY GIVES OFF PLEASANT ODOR, BUT INCREASES, SYNERGISTICALLY, THE ANTIMICROBIAL ACTVITY; GRAPEFRUIT-PIT EXTRACT, FUMITORY EXTRACT, FUMARIC ACID, OR IT'S ESTER FIRMENICH SA (CH) 2002-11-12 US disclosed
US-5116656-A Mixture with another ingredient to enhance efficiency of transfer FIRMENICH SA (CH) 1992-05-26 US disclosed
EP-0394810-A1 Process of scenting FIRMENICH SA (CH) 1990-10-31 EP 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 (4 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-12290583-B2 Perfuming complex, perfuming composition and perfumed aqueous composition of natural origin DAGLA, DAGLB, CAPRIN1 PTGER2 1073/4885PTGER3 1278/4885PTGER4 2072/4885
US-20240415745-A1 PERFUMING COMPLEX, PERFUMING COMPOSITION AND PERFUMED AQUEOUS COMPOSITION OF NATURAL ORIGIN DAGLA, DAGLB, CAPRIN1 PTGER2 1073/4885PTGER3 1278/4885PTGER4 2072/4885
US-12529008-B2 Natural semi-solid perfume TES, TAS2R50, TAS2R10 PTGER2 195/4885PTGER3 500/4885PTGER4 647/4885
US-20240141254-A1 2,6,6-TRIMETHYL-NORPINAN-2-OL AS AN ODORIFEROUS SUBSTANCE OR10J3, OR51E2, SRD5A2 PTGER2 320/4885PTGER3 1369/4885PTGER4 705/4885

“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.