Acetic Acid

Acetic Acid

SCHEMBL7758558

CC(=O)O.c1cc2ccc1o2

nearest known ligand 0.44

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
FFAR3 O14843 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
NQO2 P16083 5/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NAPRT Q6XQN6 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 3/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32

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 SCHEMBL28808001 0.97 FFAR3 (0.41) FFAR3LCKFYNNQO2CES2
SCHEMBL5848574 0.85 ALDH1A1 (0.31) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
Adipic Acid SCHEMBL5395454 0.73 LMNA (0.55) MAPTTSHRSMN1; SMN2ALDH1A1
Isopropyl Alcohol SCHEMBL20590526 0.71 ALDH1A1 (0.40) ALDH1A1TDP1
Acetic Acid SCHEMBL9623142 0.71
Acetic Acid SCHEMBL2473166 0.69 SMN1; SMN2 (0.57) FFAR3LCKFYNNQO2CES2
SCHEMBL22251585 0.69 ALDH1A1 (0.38) HSD17B10MAPTTSHRSMN1; SMN2HPGD
Acetic Acid SCHEMBL751998 0.67 SMN1; SMN2 (0.55) FFAR3LCKFYNNQO2CES2
Benzene SCHEMBL1761127 0.67 FFAR3 (0.78) FFAR3LCKFYNCES2CES1
Benzene SCHEMBL21273372 0.67 FFAR3 (0.78) FFAR3LCKFYNCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115343390-B Method for extracting effective and harmful components in traditional Chinese medicine by matrix solid-phase dispersion 杭州师范大学 2023-08-22 CN claimed
US-11174226-B2 Azetidinimines as carbapenemases inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-11-16 US claimed
EP-0283806-B1 NITRITE AND PHOSPHATE FREE GLYCOL-BASED COOLING MIXTURES BASF Aktiengesellschaft (DE) 1990-08-08 EP claimed
EP-3347343-B1 AZETIDINIMINES AS CARBAPENEMASES INHIBITORS CENTRE NAT RECH SCIENT (FR) 2023-09-27 EP disclosed
CN-115343390-B Method for extracting effective and harmful components in traditional Chinese medicine by matrix solid-phase dispersion 杭州师范大学 2023-08-22 CN disclosed
CN-115343390-A Method for micro-extracting effective and harmful components in traditional Chinese medicine by matrix solid phase dispersion 杭州师范大学 2022-11-15 CN disclosed
CN-110520452-B (meth) acrylic copolymer, method for producing same, resin composition, and antifouling coating composition 三菱化学株式会社 2022-08-02 CN disclosed
CN-114206355-A Methods and compositions for treating cancer with cancer-targeting adjuvants 芝加哥大学 2022-03-18 CN disclosed
CN-110461158-B Herbicidal mixtures comprising 2- [ (2, 4-dichlorophenyl) methyl ] -4, 4-dimethyl-3-isoxazolidone, topramezone and mefenpyr 拜耳公司 2021-12-10 CN disclosed
US-11174226-B2 Azetidinimines as carbapenemases inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2021-11-16 US disclosed
US-20190055194-A1 Azetidinimines as Carbapenemases Inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-02-21 US disclosed
CN-109071602-A Target the cyclic peptide of 4 β of α, 7 integrin 循环治疗学公司 2018-12-21 CN disclosed
EP-3347343-A1 AZETIDINIMINES AS CARBAPENEMASES INHIBITORS Centre National de la Recherche Scientifique (CNRS) (FR) 2018-07-18 EP disclosed
WO-2017042233-A1 AZETIDINIMINES AS CARBAPENEMASES INHIBITORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-03-16 WO disclosed
EP-0630888-B1 IMIDAZOLINE DERIVATIVE, PRODUCTION THEREOF, AND BLOOD PRESSURE RETENTIVE MAEDA HIROSHI (JP) 2001-04-04 EP disclosed
EP-0606816-B1 Procedure for preparing salmon calcitonin LIPOTEC SA (ES) 1999-08-11 EP disclosed
US-5527881-A SOLID PHASE SYNTHESIS OF FRAGMENTS 1 AND 2 COMPRISING DODECAPEPTIDE AND DECAPEPTIDE, DEPROTECTION TREATMENT OF RESULTING PEPTIDE-RESIN, CLEAVAGE FROM RESIN LIPOTEC, S.A. (ES) 1996-06-18 US disclosed
US-5464857-A Smooth muscle relaxants and removal of nitrogen oxides HIROSHI MAEDA (JP) 1995-11-07 US disclosed
EP-0630888-A1 IMIDAZOLINE DERIVATIVE, PRODUCTION THEREOF, AND BLOOD PRESSURE RETENTIVE Maeda, Hiroshi (JP) 1994-12-28 EP disclosed
EP-0606816-A1 Procedure for preparing salmon calcitonin LIPOTEC, S.A. (ES) 1994-07-20 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 (2 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-11174226-B2 Azetidinimines as carbapenemases inhibitors OXA1L, QDPR, PADI1 FFAR3 4770/4885LCK 4667/4885FYN 4329/4885
US-20190055194-A1 Azetidinimines as Carbapenemases Inhibitors OXA1L, QDPR, PADI1 FFAR3 4770/4885LCK 4667/4885FYN 4329/4885

“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.