Acetic Acid

Acetic Acid

SCHEMBL6705014

CC(=O)O.CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(N)C(=O)[O-]

nearest known ligand 0.41

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 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.41
CA1 P00915 2/20 0.40
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
ACE2 Q9BYF1 1/20 0.37
GPR84 Q9NQS5 8/20 0.37
FFAR1 O14842 2/20 0.37
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34

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 SCHEMBL6314424 0.88 CYP3A4 (0.33) CA1
SCHEMBL7718260 0.81 CA2 (0.45) CA2CA1GRIK1GRIK2ACE2
SCHEMBL3823555 0.81 CA2 (0.45) CA2CA1GRIK1GRIK2ACE2
SCHEMBL3827255 0.81 CA2 (0.45) CA2CA1GRIK1GRIK2ACE2
SCHEMBL8692682 0.80 CA2 (0.47) CA2CA1ACE2GPR84FFAR1
SCHEMBL97487 0.77 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
SCHEMBL7752126 0.77 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
SCHEMBL98813 0.77 CA2 (0.41) CA2CA1ACE2GPR84FFAR1
SCHEMBL97027 0.77 CA2 (0.41) CA2CA1GRIK1GRIK2ACE2
SCHEMBL7747690 0.77 CA2 (0.41) CA2CA1ACE2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9224540-B2 Conductive polymer for solid electrolyte capacitor SOLVAY USA, INC. (US) 2015-12-29 US disclosed
EP-2855554-A2 CONDUCTIVE POLYMER FOR SOLID ELECTROLYTIC CAPACITOR Solvay USA Inc. (US) 2015-04-08 EP disclosed
US-20140014881-A1 CONDUCTIVE POLYMER FOR SOLID ELECTROLYTE CAPACITOR PLEXTRONICS, INC. (US) 2014-01-16 US disclosed
WO-2013181165-A2 CONDUCTIVE POLYMER FOR SOLID ELECTROLYTIC CAPACITOR PLEXTRONICS, INC. (US) 2013-12-05 WO disclosed
US-20040034042-A1 Preservative composition ROHTO PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 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 (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-20040034042-A1 Preservative composition XDH, XPA, SORBS1 CA2 48/4885CA1 162/4885GRIK1 1636/4885

“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.