Acetic Acid

Acetic Acid

SCHEMBL343376

CC(=O)O.O=C1C2=CC=CCC2=COc2ccccc21

nearest known ligand 0.34

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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 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30
STK17B O94768 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
SCHEMBL342143 0.93 PKM (0.39) PKMTSHRMAOBMAPTKDM4E
SCHEMBL11634662 0.76 KDM4E (0.33) MAOBMAOAKDM4ESTK17B
SCHEMBL989080 0.68 BACE1 (0.47) PKMMAOBMAOAMAPTMEN1
SCHEMBL3707104 0.68 CDC25B (0.41) PKMMAOBMAOAMAPTKDM4E
SCHEMBL22092372 0.68
SCHEMBL10566394 0.67 MAOA (0.40) TSHRMAOBMAOAMAPTKDM4E
SCHEMBL6266516 0.67 KDM4E (0.32) PKMTSHRKDM4E
SCHEMBL2950618 0.66 MAPT (0.37) PKMTSHRMAOBMAPTKDM4E
SCHEMBL10921246 0.66 PKM (0.34) PKMTSHR
SCHEMBL343739 0.64 PKM (0.35) PKMTSHRMAOBMAOASTK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393797-B1 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZACH SYSTEM SPA (IT) 2016-04-20 EP disclosed
US-8835655-B2 Process for preparing olopatadine and/or a pharmaceutically acceptable salt thereof ZACH SYSTEM S.P.A (IT) 2014-09-16 US disclosed
US-20120016138-A1 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZACH SYSTEM S.P.A. (IT) 2012-01-19 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-20120016138-A1 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF QDPR, OPRD1, O60361 PKM 3239/4885TSHR 3236/4885MAOB 5/4885

“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.