Acetic Acid

Acetic Acid

SCHEMBL987391

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

nearest known ligand 0.34

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 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
LMNA P02545 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
SCHEMBL987956 0.93 MEN1 (0.33) KMT2AMEN1GAAHTT
Acetic Acid SCHEMBL986805 0.89 KMT2A (0.34) KMT2AMEN1TSHRCYP2D6LMNA
SCHEMBL26290593 0.86 GAA (0.36) KMT2AMEN1GAAHTTTSHR
Bicarbonate SCHEMBL3798404 0.83 KMT2A (0.34) KMT2AMEN1TSHR
SCHEMBL987393 0.83 TSHR (0.45) KMT2AMEN1GAATSHR
Acetic Acid SCHEMBL987138 0.81 GAA (0.38) KMT2AMEN1GAAHTTTSHR
SCHEMBL10299821 0.80 MEN1 (0.33) KMT2AMEN1HTT
SCHEMBL13715093 0.80 TSHR (0.41) KMT2AMEN1GAAHTTTSHR
Bicarbonate SCHEMBL3798743 0.80 KMT2A (0.33) KMT2AMEN1TSHR
Glycolic Acid SCHEMBL3797479 0.80 KMT2A (0.33) KMT2AMEN1TSHR

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 99 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 KMT2A 958/4885MEN1 3694/4885GAA 3210/4885

“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.