Acetic Acid

Acetic Acid

SCHEMBL1782736

CC(=O)O.CCCCCCCCCCCCN=CC(=O)O.[NaH]

nearest known ligand 0.41

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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 0.39
GPR84 Q9NQS5 7/20 0.39
PPARG P37231 7/20 0.39
PPARD Q03181 7/20 0.39
PPARA Q07869 7/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
PTPN1 P18031 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
PDE4A P27815 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE3A Q14432 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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 SCHEMBL10922905 0.98 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL5914494 0.98 GPR84 (0.40) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL5186143 0.92 AKR1B1 (0.41) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL5186150 0.92 AKR1B1 (0.41) GPR84PPARGPPARDPPARAHDAC11
Acetic Acid SCHEMBL6535003 0.90 AKR1B1 (0.34) GPR84PPARGPPARDPPARAHDAC11
SCHEMBL9191867 0.83 LMNA (0.30) TSHR
Acetic Acid SCHEMBL11201671 0.76 CA2 (0.39) GPR84MEN1KMT2AFABP3
Acetic Acid SCHEMBL1268601 0.76 CA2 (0.39) GPR84MEN1KMT2AFABP3
Acetic Acid SCHEMBL10944390 0.76 CA2 (0.39) GPR84MEN1KMT2AFABP3
Acetic Acid SCHEMBL14937855 0.76 GPR84 (0.47) GPR84PPARGPPARDPPARAHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116574221-A Preparation and application of aqueous phase antibacterial agent based on semiconductor polymer 金陵科技学院 2023-08-11 CN claimed
CN-114106247-B Modified starch and preparation method thereof, micro-bubble drilling fluid and application 中国地质大学(北京) 2022-09-23 CN disclosed
CN-114106247-A Modified starch and preparation method thereof, micro-bubble drilling fluid and application 中国地质大学(北京) 2022-03-01 CN disclosed
EP-2219592-B1 ULTRAVIOLET ABSORBER WATER-DISPERSED COMPOSITION BASF SE (DE) 2016-05-18 EP disclosed
US-8420061-B2 Ultraviolet absorber water-dispersed composition BASF SE (DE) 2013-04-16 US disclosed
US-20110117034-A1 ULTRAVIOLET ABSORBER WATER-DISPERSED COMPOSITION BASF SE (DE) 2011-05-19 US disclosed
EP-1428523-A1 Skin cosmetics Takasago International Corporation (JP) 2004-06-16 EP disclosed
US-6214957-B1 POLYMER CONTAINING HYDROPHILIC MONOMERS HAVING AMMONIO ETHYL PHOSPHATE SIDE CHAINS, POLYMER IS SOLUBLE IN SOLVENT CONTAINING WATER NOF CORPORATION (JP) 2001-04-10 US 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-20110117034-A1 ULTRAVIOLET ABSORBER WATER-DISPERSED COMPOSITION GGCT, SULT1A1, UGGT1 ESR1 3148/4885GPR84 843/4885PPARG 376/4885

“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.