Acetic Acid

Acetic Acid

SCHEMBL4221099

CC(=O)O.CC(=O)O.Cc1cccc(O)c1O

nearest known ligand 0.77

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 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.77
ALDH1A1 P00352 5/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
LMNA P02545 2/20 0.48
ALOX15 P16050 2/20 0.48
RECQL P46063 2/20 0.48
ADAMTS4 O75173 1/20 0.48
EGFR P00533 1/20 0.48
FYN P06241 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48

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 SCHEMBL8910156 0.93 TRPA1 (0.81) TRPA1ALDH1A1HPGDHSD17B10KDM4E
Oxalic Acid SCHEMBL27798141 0.91 TRPA1 (0.77) TRPA1ALDH1A1HPGDHSD17B10KDM4E
Acetic Acid SCHEMBL28854366 0.88 ALDH1A1 (0.74) TRPA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL67369 0.88
SCHEMBL20563577 0.88 TRPA1 (1.00) TRPA1ALDH1A1HPGDHSD17B10KDM4E
Formaldehyde SCHEMBL27890391 0.86 TRPA1 (0.85) TRPA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL7701981 0.85 TRPA1 (0.94) TRPA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1937642 0.85 TRPA1 (0.94) TRPA1ALDH1A1HPGDHSD17B10KDM4E
Pyrogallol SCHEMBL1937411 0.85 TRPA1 (0.94) TRPA1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL27454293 0.85 TRPA1 (0.94) TRPA1ALDH1A1HPGDHSD17B10KDM4E

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
US-20190083575-A1 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON HEAD TRAUMA-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY COGNITIVE RES ENTERPRISES INC (US) 2019-03-21 US disclosed
EP-3332797-A2 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS AND OTHER RELATED SUBSTANCES ON HEAD TRAUMA-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY Blanchette Rockefeller Neurosciences Institute (US) 2018-06-13 EP disclosed
US-9974832-B2 Therapeutic effects of bryostatins, bryologs, and other related substances on head trauma-induced memory impairment and brain injury COGNITIVE RESEARCH ENTERPRISES, INC. (US) 2018-05-22 US disclosed
EP-2959914-A1 THERAPEUTIC EFFECTS OF BRYOLOGS ON HEAD TRAUMA-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY Blanchette Rockefeller Neurosciences, Institute (US) 2015-12-30 EP disclosed
EP-2121001-B1 THERAPEUTIC EFFECTS OF BRYOSTATINS ON ISCHEMIA/STROKE-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY BRNI NEUROSCIENCES INST (US) 2014-12-17 EP disclosed
EP-2737904-A2 Therapeutic effects of bryostatins, bryologs, and other related substances on ischemia/stroke-induced memory impairment and brain injury Blanchette Rockefeller Neurosciences Institute (US) 2014-06-04 EP disclosed
US-20130165453-A1 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON ISCHEMIA/STROKE-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY BLANCHETTE ROCKEFELLER NEUROSCIENCES INSTITUTE 2013-06-27 US disclosed
EP-2121001-A2 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON ISCHEMIA/STROKE-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY Blanchette Rockefeller Neurosciences Institute (US) 2009-11-25 EP disclosed
US-20090036514-A1 Therapeutic effects of Bryostatins, Bryologs, and other related substances on Ischemia/stroke-induced memory impairment and brain injury WEST VIRGINIA UNIVERSITY 2009-02-05 US disclosed
WO-2008143880-A2 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON HEAD TRAUMA-INDUCED MEMORY IMPAIRMENT AND TRAUMATIC BRAIN INJURY BLANCHETTE ROCKEFELLER NEUROSCIENCES INSTITUTE (US) 2008-11-27 WO disclosed
US-20080207742-A1 Therapeutic effects of bryostatins, bryologs, and other related substances on head trauma-induced memory impairment and brain injury COGNITIVE RESEARCH ENTERPRISES, INC. 2008-08-28 US disclosed
WO-2008100450-A2 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON ISCHEMIA/STROKE-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY BLANCHETTE ROCKEFELLER NEUROSCIENCES INSTITUTE (US) 2008-08-21 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 (4 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-20130165453-A1 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON ISCHEMIA/STROKE-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY BDNF, NGF, NTRK2 TRPA1 2856/4885ALDH1A1 3253/4885HPGD 2721/4885
US-20080207742-A1 Therapeutic effects of bryostatins, bryologs, and other related substances on head trauma-induced memory impairment and brain injury BDNF, NGF, NTRK2 TRPA1 2723/4885ALDH1A1 3147/4885HPGD 2012/4885
US-20090036514-A1 Therapeutic effects of Bryostatins, Bryologs, and other related substances on Ischemia/stroke-induced memory impairment and brain injury BDNF, NGF, NTRK2 TRPA1 2856/4885ALDH1A1 3253/4885HPGD 2721/4885
US-20190083575-A1 THERAPEUTIC EFFECTS OF BRYOSTATINS, BRYOLOGS, AND OTHER RELATED SUBSTANCES ON HEAD TRAUMA-INDUCED MEMORY IMPAIRMENT AND BRAIN INJURY BDNF, NGF, NTRK2 TRPA1 2723/4885ALDH1A1 3147/4885HPGD 2012/4885

“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.