Acetic Acid

Acetic Acid

SCHEMBL7197355

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nearest known ligand 0.64

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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 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.64
LCK P06239 1/20 0.64
FYN P06241 1/20 0.64
LMNA P02545 3/20 0.42
TSHR P16473 4/20 0.39
THPO P40225 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CA1 P00915 3/20 0.36
ALOX15 P16050 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
SLC15A2 Q16348 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PTGS1 P23219 1/20 0.31

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 SCHEMBL27972756 1.00
Acetic Acid SCHEMBL27573129 1.00
Acetic Acid SCHEMBL29281427 1.00 FFAR3 (0.64) FFAR3LCKFYNLMNATSHR
Acetic Acid SCHEMBL3252180 0.86
Bicarbonate SCHEMBL3917413 0.86
Bicarbonate SCHEMBL16673755 0.86 CA1 (0.50) FFAR3LCKFYNLMNATSHR
Bicarbonate SCHEMBL29012214 0.86
Acetone SCHEMBL10806071 0.86
Bicarbonate SCHEMBL194552 0.86
Bicarbonate SCHEMBL27775306 0.86 CA1 (0.50) FFAR3LCKFYNLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845382-B2 Method for producing functionalised telechelic oligomers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-12-19 US claimed
US-20170009043-A1 METHOD FOR PRODUCING FUNCTIONALISED TELECHELIC OLIGOMERS UNIVERSITE DU MAINE (FR) 2017-01-12 US claimed
EP-3077425-A1 METHOD FOR PRODUCING FUNCTIONALISED TELECHELIC OLIGOMERS Centre National de la Recherche Scientifique (CNRS) (FR) 2016-10-12 EP claimed
WO-2015082842-A1 METHOD FOR PRODUCING FUNCTIONALISED TELECHELIC OLIGOMERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-06-11 WO claimed
US-9845382-B2 Method for producing functionalised telechelic oligomers CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-12-19 US disclosed
US-20170009043-A1 METHOD FOR PRODUCING FUNCTIONALISED TELECHELIC OLIGOMERS UNIVERSITE DU MAINE (FR) 2017-01-12 US disclosed
EP-3077425-A1 METHOD FOR PRODUCING FUNCTIONALISED TELECHELIC OLIGOMERS Centre National de la Recherche Scientifique (CNRS) (FR) 2016-10-12 EP disclosed
WO-2015082842-A1 METHOD FOR PRODUCING FUNCTIONALISED TELECHELIC OLIGOMERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2015-06-11 WO disclosed
US-6541660-B2 Chemical intermediates for vitamin A biosynthesis BASF AKTIENGESELLSCHAFT (DE) 2003-04-01 US disclosed
US-20020177730-A1 Process for preparing C5 acetate BASF AKTIENGESELLSCHAFT (DE) 2002-11-28 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-20020177730-A1 Process for preparing C5 acetate ADH4, C5, PROC FFAR3 1705/4885LCK 4880/4885FYN 4806/4885

“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.