Acetic Acid

Acetic Acid

SCHEMBL965975

CC(=O)O.NCCCCCCN

nearest known ligand 0.65

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
PAOX Q6QHF9 3/20 0.65
LMNA P02545 3/20 0.60
KMT2A Q03164 3/20 0.60
THRB P10828 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
PLG P00747 1/20 0.60
ALOX15 P16050 1/20 0.60
SLC6A2 P23975 1/20 0.60
RECQL P46063 1/20 0.60
SLC6A3 Q01959 1/20 0.60
CYP2D6 P10635 1/20 0.55
NFKB1 P19838 1/20 0.55
DNM1 Q05193 5/20 0.53
BLM P54132 3/20 0.53
TSHR P16473 3/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA3 P07451 2/20 0.53

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
Diaminooctane SCHEMBL9175035 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL7118249 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL8604919 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL5382762 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL6288245 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Diaminooctane SCHEMBL11308186 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL356900 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL7122573 1.00 PAOX (0.65) PAOXLMNAKMT2ATHRBMEN1
Acetic Acid SCHEMBL11462305 0.97 PAOX (0.62) PAOXLMNAKMT2ATHRBMEN1
Putrescine SCHEMBL2761088 0.97 PAOX (0.60) PAOXLMNAKMT2ATHRBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773490-B Method for synthesizing polyhexamethylene biguanide from monoguanidine intermediate 大连百傲化学股份有限公司 2023-09-26 CN claimed
CN-113773490-A Method for synthesizing polyhexamethylene biguanide from monoguanidine intermediate 大连百傲化学股份有限公司 2021-12-10 CN claimed
EP-4310504-A2 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-24 EP disclosed
US-20230391750-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-12-07 US disclosed
EP-3510380-B1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2023-11-08 EP disclosed
CN-113773490-B Method for synthesizing polyhexamethylene biguanide from monoguanidine intermediate 大连百傲化学股份有限公司 2023-09-26 CN disclosed
EP-4218829-A2 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE The Board of Trustees of the Leland Stanford Junior University (US) 2023-08-02 EP disclosed
CN-116217656-A Activity-based probe compounds, compositions, and methods of use thereof 里兰斯坦福初级大学理事会 2023-06-06 CN disclosed
US-11655236-B2 Activity-based probe compounds, compositions, and methods of use THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-05-23 US disclosed
CN-110023740-B Activity-based probe compounds, compositions, and methods of use thereof 里兰斯坦福初级大学理事会 2023-04-14 CN disclosed
EP-2971065-B1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2022-12-14 EP disclosed
US-20080064954-A1 METHOD OF MEASURING PROPULSION IN LYMPHATIC STRUCTURES BAYLOR COLLEGE OF MEDICINE (US) 2008-03-13 US disclosed
US-20080056999-A1 IMAGING AGENTS FOR FUNCTIONAL IMAGING OF LYMPHATIC STRUCTURES BAYLOR COLLEGE OF MEDICINE (US) 2008-03-06 US disclosed
WO-2008025000-A2 IMAGING AGENTS FOR FUNCTIONAL IMAGING OF LYMPHATIC STRUCTURES BAYLOR COLLEGE OF MEDICINE (US) 2008-02-28 WO disclosed
WO-2008025005-A2 METHOD OF MEASURING PROPULSION IN LYMPHATIC STRUCTURES BAYLOR COLLEGE OF MEDICINE (US) 2008-02-28 WO disclosed
CN-1256358-C Binder for abrasive articles, abrasive articles comprising the binder, and methods of making the same 3M INNOVATIVE PROPERTIES CO (US) 2006-05-17 CN disclosed
WO-2006013596-A1 SHALE INHIBITORS FOR THE PETROLEUM INDUSTRY LAMBERTI S.P.A. (IT) 2006-02-09 WO disclosed
CN-1555390-A Binder for abrasive articles, abrasive articles including the same and method of making same 3M 2004-12-15 CN disclosed
US-6682574-B2 CAN BE USED FOR SANDING, GRINDING OR POLISHING VARIOUS SURFACES OF, FOR EXAMPLE, STEEL AND OTHER METALS, WOOD, WOOD-LIKE LAMINATES, PLASTIC, FIBERGLASS, LEATHER OR CERAMICS 3M INNOVATIVE PROPERTIES COMPANY 2004-01-27 US disclosed
US-5397796-A Inhibitors of platelet aggregation, metastasis of carcinoma cells and osteoclast binding to the bone surfaces CASSELLA AG (DE) 1995-03-14 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-20230391750-A1 ACTIVITY-BASED PROBE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE DNPEP, CTSF, CTSE PAOX 1346/4885LMNA 1508/4885KMT2A 4202/4885
US-11655236-B2 Activity-based probe compounds, compositions, and methods of use DNPEP, CTSF, CTSE PAOX 1346/4885LMNA 1508/4885KMT2A 4202/4885

“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.