Acetic Acid

Acetic Acid

SCHEMBL530570

CC(=O)O.CCCCCCC(CCCCCC)(CCCCCC)C(=O)OCC

nearest known ligand 0.58

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
ESR1 known ✓ P03372 1/20 0.38
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
HTT P42858 1/20 0.50
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
CES2 O00748 1/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 4/20 0.38
PAM P19021 2/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
GPR84 Q9NQS5 2/20 0.38
HDAC11 Q96DB2 2/20 0.38

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 SCHEMBL2352340 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL8518463 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL5384786 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL4953759 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL8601641 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL1921958 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL1925892 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL433597 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL717375 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1
Acetic Acid SCHEMBL534555 1.00 MEN1 (0.58) MEN1KMT2AMAPTATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-12-05 US disclosed
CN-111741948-B Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2023-11-10 CN disclosed
EP-3760619-B1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-10-25 EP disclosed
CN-109563045-B Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation 斯克里普斯研究学院 2022-08-23 CN disclosed
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2022-04-21 US disclosed
WO-2021042890-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF AS TRK KINASE INHIBITOR 罗欣药业(上海)有限公司 2021-03-11 WO disclosed
EP-3760619-A1 SATURATED RING-CONDENSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUND, AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2021-01-06 EP disclosed
EP-3184112-B1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL)CYTOSINE FUJIFILM CORP (JP) 2020-12-23 EP disclosed
CN-112079769-A Carboxamide compounds for the treatment of metabolic disorders 里格尔药品股份有限公司 2020-12-15 CN disclosed
CN-111741948-A Saturated ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof 日本烟草产业株式会社 2020-10-02 CN disclosed
EP-0445299-A1 INOSITOL DERIVATIVE AND PRODUCTION THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-09-11 EP disclosed
EP-0431197-A1 MYOINOSITOL DERIVATIVE AND METHOD OF PRODUCTION THEREOF, AND PHOSPHORYLATING AGENT AND ITS USE MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-06-12 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
US-4935528-A HERBICIDES ISHIHARA SANGYO KAISHA LTD. (JP) 1990-06-19 US disclosed
US-4822402-A NONPHYTOTOXIC POSTEMERGENCE WEED CONTROL IN PADDY RICE FIELDS ISHIHARA SANGYO KAISHA LTD. (JP) 1989-04-18 US disclosed
CN-86103880-A Contain herbicide of thiophene sulfonamide compounds and preparation method thereof 1987-01-21 CN disclosed
US-4131746-A (DL)-13-Substituted sulfinyl-prostaglandin-like compounds and methods of making SYNTEX (USA) INC. (US) 1978-12-26 US disclosed
US-4049697-A (DL)-13-Substituted sulfinyl-prostaglandin-like compounds and methods of making SYNTEX (U.S.A.) INC. (US) 1977-09-20 US disclosed
US-4036864-A Chemical process RESEARCH INSTITUTE FOR MEDICINE AND CHEMISTRY INC. (US) 1977-07-19 US disclosed
US-3970685-A (DL)-13-Substituted sulfinyl-prostaglandin-like compounds SYNTEX (U.S.A.) INC. (US) 1976-07-20 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 (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-11834421-B2 Saturated-ring-fused dihydropyrimidinone or dihydrotriazinone compounds and pharmaceutical use thereof RORC, RORB, RORA ESR1 1115/4885MEN1 3985/4885KMT2A 1904/4885
US-20220119355-A1 SATURATED-RING-FUSED DIHYDROPYRIMIDINONE OR DIHYDROTRIAZINONE COMPOUNDS AND PHARMACEUTICAL USE THEREOF RORC, RORB, RORA ESR1 1115/4885MEN1 3985/4885KMT2A 1904/4885

“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.