Acetic Acid

Acetic Acid

SCHEMBL987129

CC(=O)O.CCCOC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.37

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 12)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.31
GAA P10253 3/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL987059 0.91 GAA (0.38) GAAHTTL3MBTL1
SCHEMBL2864052 0.88 TSHR (0.46) GAAHTTTSHRKMT2AALDH1A1
Acetic Acid SCHEMBL988128 0.87 TSHR (0.35) GAATSHRKMT2ATAAR1ALDH1A1
Acetic Acid SCHEMBL27931191 0.82 GAA (0.33) GAAHTT
SCHEMBL15672481 0.82 GAA (0.41) GAAHTTL3MBTL1
SCHEMBL2218799 0.81 GAA (0.35) GAAHTTL3MBTL1
SCHEMBL987130 0.80 TSHR (0.50) GAATSHRKMT2AALDH1A1ESR1
SCHEMBL14648316 0.79 GBA1 (0.39) GAAHTTL3MBTL1ALDH1A1
SCHEMBL15672512 0.78 GAA (0.39) GAAHTTL3MBTL1KDM4E
SCHEMBL16790813 0.78 GAA (0.39) GAAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358195-B2 Stabilized body care products, household products, textiles and fabrics BASF SE (DE) 2016-06-07 US claimed
EP-2464739-B1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2016-01-13 EP claimed
US-8859235-B2 Methods in cell cultures, and related inventions, employing certain additives BASF SE (DE) 2014-10-14 US claimed
US-20140287250-A1 COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS BASF SE (DE) 2014-09-25 US claimed
EP-1896550-B1 STABILIZED ELECTROCHROMIC MEDIA BASF SE (DE) 2013-08-14 EP claimed
US-20120328893-A1 COLOR STABILIZATION OF CORK AND COLORED WOODS BY THE COMBINED USE OF INORGANIC AND ORGANIC UV-ABSORBERS SCHALLER CHRISTIAN MARCUS (CH) 2012-12-27 US claimed
EP-1680541-B1 STABILIZED BODY CARE PRODUCTS, HOUSEHOLD PRODUCTS, TEXTILES AND FABRICS BASF SE (DE) 2012-12-19 EP claimed
US-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-28 US claimed
EP-2464739-A2 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2012-06-20 EP claimed
WO-2011018472-A2 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BASF SE (DE) 2011-02-17 WO claimed
US-6653324-B1 Impregnating with sterically hindered amine N-oxyl or N-hydroxyl; protecting against light-induced degradation CIBA SPECIALTY CHEMICALS CORPORATION 2003-11-25 US claimed
EP-1362083-A1 INK-JET INK AND RECORDING MATERIAL Ciba SC Holding AG (CH) 2003-11-19 EP claimed
EP-0943665-B1 Stabilization of wood substrates CIBA SC HOLDING AG (CH) 2003-11-05 EP claimed
US-20020124980-A1 Inhibition of pulp and paper yellowing using nitroxides, hydroxylamines and other coadditives SELTZER RAYMOND R (US) 2002-09-12 US claimed
WO-2002055618-A1 INK-JET INK AND RECORDING MATERIAL CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-07-18 WO claimed
EP-1207984-A1 STABILIZATION OF WOOD SUBSTRATES Ciba SC Holding AG (CH) 2002-05-29 EP claimed
US-6254724-B1 STABILIZING AMOUNT OF A HINDERED AMINE COMPOUND SELECTED DERIVATIVES OF 1-OXYL-2,2,6,6-TETRAMETHYL-PIPERIDIN-4-OL OR WHICH ARE THEIR HYDROXYLAMINE SALTS CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-03 US claimed
WO-2001017738-A1 STABILIZATION OF WOOD SUBSTRATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-03-15 WO claimed
US-6187387-B1 PROTECTING WOOD AGAINST LIGHT-INDUCED DEGRADATION BY TREATMENT WITH STAIN OR IMPREGNATION WHICH PENETRATES SURFACE OF WOOD COMPRISING HINDETED AMINE COMPOUND AND SOLVENT CIBA SPECIALTY CHEMICALS CORPORATION 2001-02-13 US claimed
EP-0943665-A1 Stabilization of wood substrates Ciba SC Holding AG (CH) 1999-09-22 EP claimed

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-20120164162-A1 METHODS IN CELL CULTURES, AND RELATED INVENTIONS, EMPLOYING CERTAIN ADDITIVES BBOX1, NEFM, NQO1 ESR1 4385/4885GAA 3210/4885HTT 1709/4885

“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.