Acetic Acid

Acetic Acid

SCHEMBL4551735

C=CCN(CC=C)CC=C.CC(=O)O

nearest known ligand 0.41

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 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 9/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
FFAR3 O14843 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TDP1 Q9NUW8 4/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 2/20 0.36
HPGD P15428 1/20 0.36
EYA2 O00167 1/20 0.33
APP P05067 1/20 0.33
ACE P12821 1/20 0.33

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 SCHEMBL1081463 0.88 LMNA (0.44) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
Acrylic Acid SCHEMBL3891399 0.86 LMNA (0.59) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
Acetic Acid SCHEMBL2866049 0.84 KDM4E (0.38) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
SCHEMBL5954388 0.82 KDM4E (0.37) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
Acetic Acid SCHEMBL1181677 0.81 ALDH1A1 (0.39) ALDH1A1LMNAFFAR3LCKFYN
Acetic Acid SCHEMBL1077081 0.81 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
Bicarbonate SCHEMBL3326122 0.81 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
Lactic Acid SCHEMBL5529387 0.80 TP53 (0.50) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2
Methyl Alcohol SCHEMBL28949472 0.79 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL431521 0.79 TDP1 (0.55) ALDH1A1LMNAKDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569074-B1 Method of preparing an aqueous solid particle dispersion of a photographically useful compound AGFA GEVAERT NV (BE) 1998-10-14 EP claimed
EP-0569074-A1 Method of preparing an aqueous solid particle dispersion of a photographically useful compound AGFA-GEVAERT N.V. (BE) 1993-11-10 EP claimed
CN-108440303-B High-purity triallyl ammonium chloride and preparation method thereof 山东聚发生物科技有限公司 2021-04-02 CN disclosed
CN-108440303-A A kind of high-purity triallylammonium chloride and preparation method thereof 山东聚发生物科技有限公司 2018-08-24 CN disclosed
US-8664400-B2 Triphenylamine derivatives useful as fluorophores in biology, in particular for two-photon microscopy CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-03-04 US disclosed
US-20090314990-A1 NOVEL TRIPHENYLAMINE DERIVATIVES USEFUL AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-12-24 US disclosed
EP-0587230-B1 Photographic element containing a filter dye for rapid processing applications AGFA GEVAERT (BE) 2003-11-26 EP disclosed
EP-0587229-B1 Photographic element containing a filter dye for rapid processing applications AGFA GEVAERT (BE) 2002-05-08 EP disclosed
EP-0656401-B1 New dyes for use in diverse applications AGFA GEVAERT NV (BE) 2001-09-26 EP disclosed
EP-0786497-B1 Dyes for use in diverse applications AGFA GEVAERT NV (BE) 1999-09-01 EP disclosed
US-5919610-A Dyes for use in diverse applications AGFA-GEVAERT, N.V. (BE) 1999-07-06 US disclosed
EP-0781816-A1 New dyes for use in diverse applications AGFA-GEVAERT N.V. (BE) 1997-07-02 EP disclosed
US-5502205-A Dyes for use in diverse applications AGFA-GEVAERT N.V. (BE) 1996-03-26 US disclosed
US-5478708-A New dyes for use in diverse applications AGFA-GEVAERT, N.V. (BE) 1995-12-26 US disclosed
EP-0656401-A2 New dyes for use in diverse applications AGFA-GEVAERT N.V. (BE) 1995-06-07 EP disclosed
US-5380634-A X-ray, quick processing AGFA-GEVAERT, N.V. (BE) 1995-01-10 US disclosed
US-5344749-A X-ray photographic material, amide group on methine chain AGFA-GEVAERT, N.R. (BE) 1994-09-06 US disclosed
EP-0587229-A2 Filter dyes for rapid processing applications AGFA-GEVAERT N.V. (BE) 1994-03-16 EP disclosed
EP-0587230-A2 Filter dyes for rapid processing applications AGFA-GEVAERT N.V. (BE) 1994-03-16 EP disclosed
EP-0586748-A1 Filter dyes for rapid processing applications AGFA-GEVAERT N.V. (BE) 1994-03-16 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-20090314990-A1 NOVEL TRIPHENYLAMINE DERIVATIVES USEFUL AS FLUOROPHORES IN BIOLOGY, IN PARTICULAR FOR TWO-PHOTON MICROSCOPY TERB1, TRDMT1, TARBP1 ALDH1A1 4561/4885LMNA 826/4885KDM4E 3891/4885

“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.