Acetic Acid

Acetic Acid

SCHEMBL657014

C=CCC1=NC=C1.CC(=O)O

nearest known ligand 0.32

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 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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 SCHEMBL11427221 0.68
Acetic Acid SCHEMBL6063417 0.67
Allylbenzene SCHEMBL3883984 0.67 ALDH1A1 (0.47) HSD17B10TSHRSMN1; SMN2PTGS1CYP1A2
Chavicol SCHEMBL7209702 0.64 CYP1A2 (0.47) HSD17B10KDM4EGAATSHRSMN1; SMN2
Allylbenzene SCHEMBL28745662 0.63 ALDH1A1 (0.47) HSD17B10TSHRSMN1; SMN2PTGS1CYP1A2
Acetic Acid SCHEMBL9815980 0.62
Acetic Acid SCHEMBL11750370 0.62 FFAR3 (0.47) HSD17B10TSHRMAPK1ALDH1A1
Allyl Alcohol SCHEMBL5083734 0.62
Acetic Acid SCHEMBL11301717 0.60 FFAR3 (0.44) HSD17B10TSHRMAPK1ALDH1A1
Acetic Acid SCHEMBL9217270 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4245122-A USING TRICAPRYLMETHYLAMMONIUM CHLORIDE AS A PHASE TRANSFER AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-13 US claimed
US-12013574-B2 Stable microcapsule compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2024-06-18 US disclosed
EP-3897955-B1 HYDROXYETHYL CELLULOSE MICROCAPSULES INT FLAVORS & FRAGRANCES INC (US) 2024-02-07 EP disclosed
US-20240004145-A1 Stable Microcapsule Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2024-01-04 US disclosed
EP-4209264-A1 MICROCAPSULE COMPOSITIONS STABILIZED WITH VISCOSITY CONTROL AGENTS International Flavors & Fragrances Inc. (US) 2023-07-12 EP disclosed
US-20230172820-A1 Compositions Containing Microcapsules INTERNATIONAL FLAVORS & FRAGRANCES INC. 2023-06-08 US disclosed
EP-3512625-B1 MICROCAPSULE COMPOSITIONS STABILIZED WITH VISCOSITY CONTROL AGENTS INT FLAVORS & FRAGRANCES INC (US) 2023-04-26 EP disclosed
US-11602494-B2 Compositions containing microcapsules coated with deposition proteins INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2023-03-14 US disclosed
US-20230046103-A1 Stable Microcapsule Compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. 2023-02-16 US disclosed
US-20230051314-A1 BIODEGRADABLE MICROCAPSULES INTERNATIONAL FLAVORS & FRAGRANCES INC. 2023-02-16 US disclosed
EP-2860237-A1 Terpolymer-coated polymer encapsulated active material International Flavors & Fragrances Inc. (US) 2015-04-15 EP disclosed
US-20140044761-A1 HYBRID FRAGRANCE ENCAPSULATE FORMULATION AND METHOD FOR USING THE SAME INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2014-02-13 US disclosed
WO-2013164856-A1 A PROCESS FOR PREPARING INTERMEDIATES OF 10-PROPARGYL-10-DEAZAAMINOPTERIN (PRALATREXATE) SYNTHESIS AND THE INTERMEDIATES THEREOF AVRA LABORATORIES PRIVATE LIMITED (IN) 2013-11-07 WO disclosed
US-8119587-B2 Microcapsules GIVAUDAN SA (CH) 2012-02-21 US disclosed
EP-2111214-B1 MICROCAPSULES GIVAUDAN SA (CH) 2011-04-13 EP disclosed
US-20100009893-A1 Microcapsules GIVAUDAN SA (CH) 2010-01-14 US disclosed
EP-2111214-A1 MICROCAPSULES Givaudan SA (CH) 2009-10-28 EP disclosed
WO-2008098387-A1 MICROCAPSULES GIVAUDAN SA (CH) 2008-08-21 WO disclosed
EP-0364661-A2 Improved metathesis catalyst system for the polymerization of dicyclopentadiene HERCULES INCORPORATED (US) 1990-04-25 EP disclosed
US-4167593-A Method of subbing a polyester base CIBA-GEIGY AG (CH) 1979-09-11 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 (5 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-20230051314-A1 BIODEGRADABLE MICROCAPSULES LIPA, MLEC, LRBA HSD17B10 994/4885KDM4E 3479/4885GAA 529/4885
US-20230172820-A1 Compositions Containing Microcapsules COPE, SAAL1, AUP1 HSD17B10 3654/4885KDM4E 4001/4885GAA 2403/4885
US-12013574-B2 Stable microcapsule compositions LIPA, AUP1, PHOSPHO1 HSD17B10 2842/4885KDM4E 3941/4885GAA 528/4885
US-11602494-B2 Compositions containing microcapsules coated with deposition proteins AUP1, CAPG, TTR HSD17B10 2559/4885KDM4E 4280/4885GAA 2477/4885
US-20140044761-A1 HYBRID FRAGRANCE ENCAPSULATE FORMULATION AND METHOD FOR USING THE SAME CUTA, FAU, FHIT HSD17B10 1575/4885KDM4E 3352/4885GAA 721/4885

“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.