Acetic Acid

Acetic Acid

SCHEMBL987542

CC(=O)O.COC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.41

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 14)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.31
GAA P10253 4/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31
APLNR P35414 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 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
SCHEMBL271984 0.89 GAA (0.44) GAAHTTL3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL4555102 0.87 GAA (0.43) GAAHTTL3MBTL1KMT2AKDM4E
Hydrochloric Acid SCHEMBL4555101 0.85 GAA (0.41) GAAHTTL3MBTL1KMT2AKDM4E
Acetic Acid SCHEMBL988246 0.84 TSHR (0.36) KMT2ATSHRALDH1A1CYP2D6LMNA
Acetic Acid SCHEMBL13732260 0.82 KMT2A (0.51) GAAHTTL3MBTL1KMT2ATSHR
SCHEMBL241284 0.78 KMT2A (0.50) GAAHTTL3MBTL1KMT2ATSHR
SCHEMBL22127756 0.78 GAA (0.49) GAAHTTL3MBTL1KMT2ATSHR
Tempol Hydroxylamine SCHEMBL986355 0.77 GAA (0.46) GAAHTTL3MBTL1KMT2AKDM4E
Acetic Acid SCHEMBL987129 0.77 GAA (0.37) GAAHTTL3MBTL1KMT2ATSHR
SCHEMBL7526296 0.75 GAA (0.50) GAAHTTL3MBTL1KMT2ATSHR

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 109 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
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-1000032-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES Ciba SC Holding AG (CH) 2000-05-17 EP claimed
EP-0943665-A1 Stabilization of wood substrates Ciba SC Holding AG (CH) 1999-09-22 EP claimed
WO-1999005108-A1 INHIBITION OF PULP AND PAPER YELLOWING USING NITROXIDES AND OTHER COADDITIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-02-04 WO 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.