Acetic Acid

Acetic Acid

SCHEMBL4610439

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

nearest known ligand 0.40

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 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HTT P42858 1/20 0.34
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.30
FDPS P14324 1/20 0.30
GPR84 Q9NQS5 3/20 0.30
FFAR1 O14842 1/20 0.30

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 SCHEMBL5001023 0.89 MAPT (0.44) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL9625137 0.89 MAPT (0.44) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL16390992 0.89 MAPT (0.44) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL8520205 0.89 MAPT (0.44) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL4612014 0.89 MEN1 (0.40) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL9025723 0.88 MEN1 (0.39) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL167196 0.87 MEN1 (0.38) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL721432 0.85 CYP4F2 (0.44) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL87904 0.85 CYP4F2 (0.44) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL17747690 0.85 CYP4F2 (0.40) MEN1MAPTKMT2AATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3098217-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER UNIV TOKYO SCIENCE FOUND (JP) 2018-04-25 EP disclosed
US-9796640-B2 Method for producing optically active carboxylic acid ester TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-10-24 US disclosed
US-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2017-01-12 US disclosed
EP-3098217-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER Tokyo University of Science Foundation (JP) 2016-11-30 EP disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 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 (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-20170008820-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ESTER ADH1A, ALDH1A2, ADH1C MEN1 4134/4885MAPT 2920/4885KMT2A 2579/4885

“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.