Acetic Acid

Acetic Acid

SCHEMBL5544895

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

nearest known ligand 0.43

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 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35

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 SCHEMBL5604746 0.99 MEN1 (0.46) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL18104019 0.94 MEN1 (0.49) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL6697326 0.94 MEN1 (0.49) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL18104043 0.93 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL1273606 0.93 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL168983 0.93 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL4637586 0.91 MEN1 (0.40) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL3257080 0.89 MEN1 (0.45) MEN1MAPTKMT2AATML3MBTL1
SCHEMBL14246460 0.88 MEN1 (0.48) MEN1MAPTKMT2AATML3MBTL1
Acetic Acid SCHEMBL6111495 0.88 MEN1 (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651641-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (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-20050020611-A1 Compounds NQO1, NAMPT, NNT MEN1 532/4885MAPT 3157/4885KMT2A 2721/4885

“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.