Acetic Acid

Acetic Acid

SCHEMBL343375

CC(=O)O.O=C1c2ccccc2COc2ccccc21

nearest known ligand 0.63

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
MAPT P10636 4/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 2/20 0.60
AKR1B1 P15121 1/20 0.59
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
MAOB P27338 2/20 0.52
MAOA P21397 1/20 0.52
MAPK14 Q16539 1/20 0.49

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
SCHEMBL29375440 0.89 MAPT (0.67) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
SCHEMBL86392 0.89 MAPT (0.67) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
Butyric Acid SCHEMBL3359947 0.85 AKR1B1 (0.59) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
3-Methylbutanoic Acid SCHEMBL3359773 0.84 AKR1B1 (0.57) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
Ethyl Acetate SCHEMBL3359951 0.84 ALDH1A1 (0.61) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
Valeric Acid SCHEMBL9879921 0.83 AKR1B1 (0.56) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
Acetic Acid SCHEMBL28502663 0.82 MAOA (0.77) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
Acetic Acid SCHEMBL28227973 0.81 MAOA (0.74) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
SCHEMBL8882817 0.80 AKR1B1 (0.56) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1
SCHEMBL10922029 0.80 TTR (0.55) MAPTALDH1A1SMN1; SMN2RAB9AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55108834-A None JP disclosed
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
EP-2393797-A2 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZaCh System S.p.A. (IT) 2011-12-14 EP disclosed
WO-2010089268-A2 PROCESS FOR PREPARING OLOPATADINE AND/OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ZACH SYSTEM S.P.A. (IT) 2010-08-12 WO disclosed
EP-0119540-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES OF 6,11-DIHYDRO-11-OXODIBENZ (B,E)-OXEPINS, A PROCESS FOR THE PREPARATION AND INTERMEDIATES THEREOF AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1990-08-22 EP disclosed
US-4751238-A ANALGESICS, ANTIINFLAMMATORY AGENT HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-06-14 US disclosed
US-4576960-A 6,11-Dihydro-11-oxo-dibenz[b,e]oxepin derivatives HOECHST ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-03-18 US disclosed
US-4515946-A 6,11-Dihydro-11-oxo-dibenz-[b,e]oxepin derivatives HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-05-07 US disclosed
EP-0082521-A1 6,11-Dihydro-11,-oxo-dibenz(b,e)-oxepin derivatives, methods for their preparation, pharmaceutical compositions containing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-29 EP disclosed
JP-S55108834-A PREPARATION OF (2-CARBOXYBENZYLOXY)-PHENYLACETATIC ACID DAI ICHI SEIYAKU CO LTD 1980-08-21 JP 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 MAPT 2063/4885ALDH1A1 1057/4885SMN1; SMN2 1726/4885

“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.