Acetic Acid

Acetic Acid

SCHEMBL5384786

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

nearest known ligand 0.58

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
ESR1 known ✓ P03372 1/20 0.38
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
HTT P42858 1/20 0.50
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
CES2 O00748 1/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 4/20 0.38
PAM P19021 2/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
HDAC11 Q96DB2 2/20 0.38

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 SCHEMBL530570 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL2352340 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL8518463 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL4953759 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL8601641 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL1921958 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL1925892 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL433597 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL717375 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL534555 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845096-A1 12-Aza-epothilones, process for their preparation and their use as antiproliferative agents ETH Zürich (CH) 2007-10-17 EP disclosed
WO-2007110214-A1 12-AZA-EP0THIL0NES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIPROLIFERATIVE AGENTS ETH Zürich (CH) 2007-10-04 WO disclosed
CN-1308338-C Phosphorus compound DAICEL CHEM (JP) 2007-04-04 CN disclosed
CN-1224625-C Phosphorus-containing compound DAICEL CHEM (JP) 2005-10-26 CN disclosed
CN-1610666-A Benzamidine derivative SANKYO CO (JP) 2005-04-27 CN disclosed
CN-1597686-A Phosphorus compound DAICEL CHEM (JP) 2005-03-23 CN disclosed
US-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 EP disclosed
CN-1383429-A Phosphorus-containing compound DAICEL CHEM (JP) 2002-12-04 CN disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 ESR1 2674/4885MEN1 3976/4885KMT2A 1756/4885

“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.