Acetic Acid

Acetic Acid

SCHEMBL23698382

CC(=O)[O-].CCCCCCCC[N+]1=CN(C)CC1

nearest known ligand 0.33

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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 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CES2 O00748 4/20 0.32
▸ CES1 P23141 3/20 0.32
▸ CCR5 P51681 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HSP90AA1 P07900 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ THRA P10827 4/20 0.31
▸ THRB P10828 4/20 0.31
▸ FABP3 P05413 1/20 0.30
▸ L3MBTL1 Q9Y468 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
Bicarbonate SCHEMBL23698507 0.94 KCNH2 (0.33) CA2CA1CES2CES1CCR5
SCHEMBL21049587 0.89 HTT (0.37) CA2CA1MEN1HSP90AA1KMT2A
SCHEMBL21049571 0.89 HTT (0.37) CA2CA1MEN1HSP90AA1KMT2A
L-Lactic Acid SCHEMBL23698385 0.89 CA1 (0.35) CA2CA1CCR5
Iodide SCHEMBL16582908 0.87 EEF2K (0.36) CA2CA1MEN1HSP90AA1KMT2A
Hydrochloric Acid SCHEMBL23698477 0.87 KMT2A (0.37) CA2CA1MEN1HSP90AA1KMT2A
SCHEMBL21049598 0.87 HTT (0.34) CA2CA1MEN1HSP90AA1KMT2A
Formic Acid SCHEMBL23698414 0.86 HTT (0.32) CA2CA1HTT
Acetic Acid SCHEMBL2170789 0.79 — —
Acetic Acid SCHEMBL29252726 0.73 CES2 (0.35) CA2CES2CES1MEN1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12291506-B2 Method for producing amidate compound, and amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2025-05-06 — — US disclosed
CN-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 — — CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 — — CN disclosed
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND KOEI CHEMICAL COMPANY, LIMITED (JP) 2022-02-17 — — US disclosed
EP-3858817-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2021-08-04 — — EP disclosed
CN-112703184-A Process for producing amide compound, and amide compound 广荣化学株式会社 2021-04-23 — — 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 (2 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-12291506-B2 Method for producing amidate compound, and amidate compound NAAA, NIT2, PAM CA2 1782/4885CA1 1458/4885CES2 1471/4885
US-20220048864-A1 METHOD FOR PRODUCING AMIDATE COMPOUND, AND AMIDATE COMPOUND NAAA, NIT2, PAM CA2 1782/4885CA1 1458/4885CES2 1471/4885

“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.

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