Acetic Acid

Acetic Acid

SCHEMBL2827965

CC(=O)O.CCCC(C)C

nearest known ligand 0.50

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
TDP1 Q9NUW8 2/20 0.50
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.42
NFKB1 P19838 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CA1 P00915 2/20 0.42
FFAR3 O14843 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41

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 SCHEMBL6847761 0.97 TDP1 (0.48) TDP1CHRM1AKR1A1CHRM3HTR2A
Acetic Acid SCHEMBL1588800 0.95 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
Acetic Acid SCHEMBL4482555 0.95 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
Acetic Acid SCHEMBL5762920 0.95 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
Bicarbonate SCHEMBL9490608 0.91 HDAC1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A
Bicarbonate SCHEMBL14245001 0.91 HDAC1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A
Acetone SCHEMBL290188 0.91 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
Bicarbonate SCHEMBL7424110 0.91 HDAC1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A
Bicarbonate SCHEMBL28420339 0.88 CHRM1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
Acetic Acid SCHEMBL1244963 0.88 CHRM1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434765-A BCMA monoclonal antibodies and antibody-drug conjugates 杭州多禧生物科技有限公司 2024-08-02 CN disclosed
CN-118215676-A Specific conjugation of antibody drug conjugates 杭州多禧生物科技有限公司 2024-06-18 CN disclosed
CN-111492497-B Charge-transporting varnish and charge-transporting film 日产化学株式会社 2023-05-26 CN disclosed
CN-105358556-B New compound for selective histone deacetylase inhibitor and the pharmaceutical composition comprising it 株式会社钟根堂 2018-01-02 CN disclosed
EP-2903609-B1 PROTECTED SUCCINATES FOR ENHANCING MITOCHONDRIAL ATP-PRODUCTION NEUROVIVE PHARMACEUTICAL AB (SE) 2017-12-06 EP disclosed
CN-106146484-A Quinazoline derivant is as RAF kinase modulator and their method and purposes 埃姆比特生物科学公司 2016-11-23 CN disclosed
CN-105658646-A Aminoheteroaryl benzamides as kinase inhibitors 诺华股份有限公司 2016-06-08 CN disclosed
EP-2155717-B1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-10-24 EP disclosed
CN-102666531-A Heterocyclic-substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-09-12 CN disclosed
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 CN disclosed
CN-100384892-C Catalysts for olefin polymerization DU PONT (US) 2008-04-30 CN disclosed
CN-100369940-C Olefin polymerization catalyst DU PONT (US) 2008-02-20 CN disclosed
CN-1277824-C Piperazine derivatives HOFFMANN LA ROCHE (CH) 2006-10-04 CN disclosed
CN-1802350-A Azetidinecarboxamide derivatives and their use in the treatment of CB1Use in receptor-mediated disorders VERNALIS RES LTD (GB) 2006-07-12 CN disclosed
CN-1626558-A Catalysts for olefin polymerization DU PONT (US) 2005-06-15 CN disclosed
CN-1533382-A Piperazine derivatives - 2004-09-29 CN disclosed
US-20040101864-A1 Chemical process ATRAZENECA AB (SE) 2004-05-27 US disclosed
CN-1444606-A Olefin polymerization catalyst DU PONT (US) 2003-09-24 CN disclosed
US-5696155-A ANTIINFLAMMATORY AGENTS; ANTIALLERGENS BOEHRINGER MANNHEIM BMBH (DE) 1997-12-09 US disclosed
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 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-20040101864-A1 Chemical process ASS1, SRM, SRMS TDP1 1623/4885CHRM1 2507/4885AKR1A1 492/4885

“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.