Acetic Acid

Acetic Acid

SCHEMBL359202

CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(N)Oc1ccccc1

nearest known ligand 0.51

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 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.41
PARP10 Q53GL7 1/20 0.41
ANPEP P15144 1/20 0.41
LAP3 P28838 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL24309913 0.89 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL507063 0.89 CA4 (0.43) MTNR1AMTNR1BGAACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL28234445 0.87 POLB (0.42) MTNR1AMTNR1BGAACYP1A2CYP2C9
Benzamide SCHEMBL1567388 0.85 PARP10 (0.58) MTNR1AMTNR1BGAACYP1A2CYP2C9
Acetic Acid SCHEMBL27465373 0.81 MTNR1A (0.53) MTNR1AMTNR1BGAACYP1A2CYP2C9
SCHEMBL9487460 0.81 LTA4H (0.52) KMT2AMEN1PARP10TSHR
Acetic Acid SCHEMBL27501770 0.79 PARP10 (0.55) MTNR1AMTNR1BGAACYP1A2CYP2C9
Citric Acid SCHEMBL3233236 0.78 SLC13A5 (0.48) MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19
SCHEMBL7651909 0.78 TAAR1 (0.44) MTNR1AMTNR1BGAAKMT2AMEN1
SCHEMBL27450538 0.78 GAA (0.55) MTNR1AMTNR1BGAACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110110913-A1 PHARMACEUTICAL FORMULATIONS OF RESVERATROL AND METHODS OF USE THEREOF FOR TREATING CELL DISORDERS NAD LIFE PTY LTD (AU) 2011-05-12 US claimed
JP-2011513338-A 2011-04-28 JP claimed
EP-2259782-A1 PHARMACEUTICAL FORMULATIONS OF RESVERATROL AND METHODS OF USE THEREOF FOR TREATING CELL DISORDERS Grant, Ross Stewart (AU) 2010-12-15 EP claimed
WO-2009108999-A1 PHARMACEUTICAL FORMULATIONS OF RESVERATROL AND METHODS OF USE THEREOF FOR TREATING CELL DISORDERS GRANT ROSS STEWART (AU) 2009-09-11 WO claimed
US-10974059-B2 Treatment of cancer or tumors induced by the release of heat generated by various chains of magnetosomes extracted from magnetotactic bacteria and submitted to an alternating magnetic field NANOBACTERIE (FR) 2021-04-13 US disclosed
US-20200140290-A1 Remediation of physiologically active compounds from waste water SECURE NATURAL RESOURCES LLC (US) 2020-05-07 US disclosed
US-20190201704-A1 TREATMENT OF CANCER OR TUMORS INDUCED BY THE RELEASE OF HEAT GENERATED BY VARIOUS CHAINS OF MAGNETOSOMES EXTRACTED FROM MAGNETOTACTIC BACTERIA AND SUBMITTED TO AN ALTERNATING MAGNETIC FIELD NANOBACTERIE (FR) 2019-07-04 US disclosed
US-10252073-B2 Treatment of cancer or tumor induced by the release of heat generated by various chains of magnetosomes extracted from magnetotactic bacteria and submitted to an alternating magnetic field NANOBACTERIE (FR) 2019-04-09 US disclosed
US-10238886-B2 Treatment of cancer or tumors induced by the release of heat generated by various chains of magnetosomes extracted from magnetotactic bacteria and submitted to an alternating magnetic field NANOBACTERIE (FR) 2019-03-26 US disclosed
US-20170157253-A1 TREATMENT OF CANCER OR TUMOR INDUCED BY THE RELEASE OF HEAT GENERATED BY VARIOUS CHAINS OF MAGNETOSOMES EXTRACTED FROM MAGNETOTACTIC BACTERIA AND SUBMITTED TO AN ALTERNATING MAGNETIC FIELD ALPHAONCO (FR) 2017-06-08 US disclosed
US-9512095-B2 Polymorph forms of desazadesferrithiocin analogs FERROKIN BIOSCIENCES, INC. (US) 2016-12-06 US disclosed
US-20160024034-A1 POLYMORPH FORMS OF DESAZADESFERRITHIOCIN ANALOGS FERROKIN BIOSCIENCES, INC. 2016-01-28 US disclosed
US-20100155330-A1 TARGET MATERIAL REMOVAL USING RARE EARTH METALS MOLYCORP MINERALS, LLC (US) 2010-06-24 US disclosed
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2010-06-03 US disclosed
WO-2010056742-A1 TARGET MATERIAL REMOVAL USING RARE EARTH METALS MOLYCORP MINERALS LLC (US) 2010-05-20 WO disclosed
EP-2171037-A2 BIOREACTOR Algaedyne Corportion (US) 2010-04-07 EP disclosed
WO-2010009120-A2 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERRITHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS FERROKIN BIOSCIENCES, INC. (US) 2010-01-21 WO disclosed
WO-2009108999-A1 PHARMACEUTICAL FORMULATIONS OF RESVERATROL AND METHODS OF USE THEREOF FOR TREATING CELL DISORDERS GRANT ROSS STEWART (AU) 2009-09-11 WO disclosed
US-20090013742-A1 COMPOSITIONS AND METHODS FOR WASTEWATER TREATMENT WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-01-15 US disclosed
WO-2009002772-A2 BIOREACTOR ALGAEDYNE CORPORTION (US) 2008-12-31 WO 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 (3 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-20110110913-A1 PHARMACEUTICAL FORMULATIONS OF RESVERATROL AND METHODS OF USE THEREOF FOR TREATING CELL DISORDERS SIRT1, SIRT2, SIRT6 MTNR1A 799/4885MTNR1B 1187/4885GAA 967/4885
US-20100137383-A1 NOVEL SALTS AND POLYMORPHS OF DESAZADESFERROTHIOCIN POLYETHER ANALOGUES AS METAL CHELATION AGENTS SLC39A14, SLC40A1, SLC39A11 MTNR1A 2772/4885MTNR1B 3349/4885GAA 635/4885
US-20160024034-A1 POLYMORPH FORMS OF DESAZADESFERRITHIOCIN ANALOGS SLC39A14, FTH1, SLC40A1 MTNR1A 2650/4885MTNR1B 2454/4885GAA 1183/4885

“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.