Acetic Acid

Acetic Acid

SCHEMBL6535946

CC(=O)O.c1ccc2c(c1)CCCN2

nearest known ligand 0.54

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
MAPT P10636 5/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 3/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
NOTUM Q6P988 1/20 0.40
HSD17B3 P37058 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40

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
Bicarbonate SCHEMBL8082241 0.93 MAPT (0.57) MAPTKDM4EALDH1A1CYP1A2CA12
Oxalic Acid SCHEMBL7825836 0.91 MAPT (0.56) MAPTKDM4EALDH1A1CYP1A2CA12
Carbamic Acid SCHEMBL28412507 0.89 MAPT (0.54) MAPTKDM4EALDH1A1CYP1A2CA12
Indoline SCHEMBL17652456 0.89 DRD2 (0.44) MAPTKDM4EALDH1A1CYP1A2MAPK1
Benzene SCHEMBL29053622 0.89 MAPT (0.50) MAPTKDM4EALDH1A1CYP1A2CA12
Urea SCHEMBL28255233 0.87 MAPT (0.51) MAPTKDM4EALDH1A1CYP1A2CA12
SCHEMBL29370549 0.87 MAPT (0.50) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL18172 0.87 MAPT (0.50) MAPTKDM4EALDH1A1CA12CA1
SCHEMBL27392334 0.87 MAPT (0.50) MAPTKDM4EALDH1A1CA12CA1
Fumaric Acid SCHEMBL7722940 0.86 MAPT (0.51) MAPTKDM4EALDH1A1CYP1A2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071786-B Two part curable composition 汉高知识产权控股有限责任公司 2021-09-14 CN disclosed
US-10689504-B2 Two part curable composition Henkel IP & Holding GmbH (DE) 2020-06-23 US disclosed
CN-106715559-B Curing accelerators for anaerobic curable compositions 汉高知识产权控股有限责任公司 2020-02-28 CN disclosed
EP-3436500-A1 TWO PART CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2019-02-06 EP disclosed
US-20190023872-A1 TWO PART CURABLE COMPOSITION HENKEL AG & CO. KGAA (DE) 2019-01-24 US disclosed
US-9969690-B2 Cure accelerators for anaerobic curable compositions Henkel IP & Holding GmbH (DE) 2018-05-15 US disclosed
WO-2017172270-A1 TWO PART CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-10-05 WO disclosed
EP-3201266-A1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-08-09 EP disclosed
US-20170174630-A1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2017-06-22 US disclosed
WO-2016054124-A1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2016-04-07 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP disclosed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
WO-1998025884-A1 FURTHER ANTHRAQUINONES WITH BIOLOGICAL ACTIVITY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-18 WO 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 MAPT 4276/4885KDM4E 2375/4885ALDH1A1 2602/4885
US-20170174630-A1 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS AHCY, AHCYL1, CAPG MAPT 4449/4885KDM4E 193/4885ALDH1A1 1098/4885

“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.