Acetic Acid

Acetic Acid

SCHEMBL17003739

CC(=O)Nc1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1.CC(=O)[O-]

nearest known ligand 0.65

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
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ P2RY6 Q15077 1/20 0.54
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ RAB9A P51151 2/20 0.44
▸ APAF1 O14727 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ITPR1 Q14643 1/20 0.44
▸ GBA1 P04062 3/20 0.42
▸ CA14 Q9ULX7 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ ABCB1 P08183 2/20 0.40

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
SCHEMBL17124186 0.97 MEN1 (0.69) MEN1KMT2ATHRBRECQLBLM
SCHEMBL17124185 0.82 MEN1 (0.72) MEN1KMT2ATHRBRECQLBLM
Trifluoroacetic Acid SCHEMBL17003731 0.81 MEN1 (0.62) MEN1KMT2ATHRBRECQLBLM
Trifluoroacetic Acid SCHEMBL17003722 0.80 MEN1 (0.64) MEN1KMT2ATHRBRECQLBLM
SCHEMBL14013408 0.80 MEN1 (0.79) MEN1KMT2ATHRBRECQLBLM
SCHEMBL13525202 0.79 MEN1 (1.00) MEN1KMT2ATHRBRECQLBLM
SCHEMBL12192021 0.79 MEN1 (0.74) MEN1KMT2ATHRBRECQLBLM
Acetic Acid SCHEMBL19878400 0.79 MEN1 (0.52) MEN1KMT2ATHRBRECQLBLM
Acetic Acid SCHEMBL19878290 0.79 MEN1 (0.52) MEN1KMT2ATHRBRECQLBLM
Acetic Acid SCHEMBL30378926 0.79 MEN1 (0.52) MEN1KMT2ATHRBRECQLBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-10-01 — — US disclosed
EP-2907877-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION Japan Science and Technology Agency (JP) 2015-08-19 — — 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 (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-20150276751-A1 REAGENT FOR IMAGING INTRACELLULAR ACETYLATION ACAT1, ACAT2, ACAA2 MEN1 4111/4885KMT2A 2532/4885THRB 3532/4885

“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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