Acetic Acid

Acetic Acid

SCHEMBL11385

CC(=O)O.CC(=O)O.CC(=O)O.CCCCCCC(CCCCCC)(CCCCCC)CCCCCC(CCCCCC)(CCCCCC)C(=O)OCC

nearest known ligand 0.54

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 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
HTT P42858 1/20 0.46
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
CES2 O00748 1/20 0.36
FAAH O00519 1/20 0.36
TSHR P16473 3/20 0.35
PAM P19021 2/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
GPR84 Q9NQS5 2/20 0.34
PPARD Q03181 2/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC22A6 Q4U2R8 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 SCHEMBL718896 1.00 MEN1 (0.54) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL4953759 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL503887 0.95 CYP4F2 (0.56) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL1925892 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL8518463 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL6531912 0.95 CYP4F2 (0.56) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL1921958 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL8601641 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL717375 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL433597 0.95 MEN1 (0.58) MEN1MAPTKMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292621-B High-low temperature adhesive based on bioengineering protein and preparation method thereof 清华大学 2023-05-02 CN disclosed
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9381172-B2 Small molecule choline kinase inhibitors, screening assays, and methods for treatment of neoplastic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2016-07-05 US disclosed
EP-2432765-B1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2016-03-02 EP disclosed
CN-102695710-B Tricyclic pyrazole sulfonamide derivatives MERCK SERONO S.A. (CH) 2015-08-19 CN disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
CN-102438986-B Isoquinolin-1 (2h) -one derivatives as parp-1 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-07-01 CN disclosed
US-8993594-B2 Isoquinolin-1(2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
US-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-02-13 US disclosed
US-8592416-B2 Isoquinolin-1 (2H)-one derivatives as PARP-1 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-11-26 US disclosed
EP-0302792-A2 Alkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same SANOFI (FR) 1989-02-08 EP disclosed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP disclosed
EP-0097031-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH USEFUL AS LHRH ANTAGONISTS, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1988-09-21 EP disclosed
US-4690916-A ANTIFERTILITY AGENTS; HALO-SUBSTITUTED GUANADINO AMINO ACYL RESIDUE COMPONENT SYNTEX (U.S.A.) INC. (US) 1987-09-01 US disclosed
US-4670541-A Use of diamino alcohols as analgesic agents E. R. SQUIBB & SONS, INC. (US) 1987-06-02 US disclosed
EP-0182262-A2 Nona and decapeptide analogs of LHRH useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-05-28 EP disclosed
US-4581169-A Nona-peptide and deca-peptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1986-04-08 US disclosed
US-4552866-A Use of diamino alcohols as analgesic agents E. R. SQUIBB & SONS, INC. (US) 1985-11-12 US disclosed
US-4481190-A LUTEINIZING HORMONE RELEASING HORMONE SYNTEX (U.S.A.) INC. (US) 1984-11-06 US disclosed
EP-0097031-A2 Nonapeptide and decapeptide analogs of LHRH useful as LHRH antagonists, their preparation and compositions containing them SYNTEX (U.S.A.) INC. (US) 1983-12-28 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-20140045846-A1 ISOQUINOLIN-1(2H)-ONE DERIVATIVES AS PARP-1 INHIBITORS PARP1, PARP2, PARP11 MEN1 4112/4885MAPT 1619/4885KMT2A 1627/4885

“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.