Acetic Acid

Acetic Acid

SCHEMBL18339170

CC(=O)O.CCC=CCCC=CCO

nearest known ligand 0.48

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 8/20 0.48
CYP19A1 P11511 4/20 0.48
MAPT P10636 4/20 0.48
PPARG P37231 3/20 0.48
OXER1 Q8TDS5 3/20 0.48
RXRA P19793 2/20 0.48
FFAR1 O14842 2/20 0.48
PPARA Q07869 3/20 0.47
PTGS1 P23219 4/20 0.45
F7 P08709 3/20 0.45
F3 P13726 3/20 0.45
KMT2A Q03164 2/20 0.45
PPARD Q03181 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
CYP3A4 P08684 1/20 0.42

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 SCHEMBL19260209 1.00 ALDH1A1 (0.48) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL162448 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL162447 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL20839272 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL23327089 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL25271398 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL272699 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
SCHEMBL162446 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MAPTPPARGOXER1
Acetic Acid SCHEMBL7185392 0.83 PPARG (0.39) CYP19A1MAPTPPARGFFAR1PPARA
Cis-3-Hexenol SCHEMBL245795 0.83 ALDH1A1 (0.50) ALDH1A1CYP19A1MAPTPPARGOXER1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 US disclosed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
EP-3368542-A2 HIGH INTENSITY SWEETENERS Senomyx, Inc. (US) 2018-09-05 EP disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 WO disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 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 (8 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885MAPT 4340/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885MAPT 4340/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 ALDH1A1 1490/4885CYP19A1 3584/4885MAPT 930/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 ALDH1A1 3726/4885CYP19A1 4071/4885MAPT 1377/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885MAPT 4340/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885MAPT 4340/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CYP19A1 4650/4885MAPT 4340/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ALDH1A1 3880/4885CYP19A1 3947/4885MAPT 1637/4885

“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.