Acetic Acid

Acetic Acid

SCHEMBL1482741

CC(=O)O.CCCCCC1C(=O)CC[C@H]1C

nearest known ligand 0.44

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
PTGER2 P43116 6/20 0.44
PTGER3 P43115 3/20 0.44
PTGER4 P35408 2/20 0.44
HTT P42858 2/20 0.41
TLR4 O00206 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 2/20 0.38
ELANE P08246 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PRKCA P17252 2/20 0.36
PRKD3 O94806 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCH P24723 1/20 0.36
PRKCE Q02156 1/20 0.36
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36

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
Acetic Acid SCHEMBL18130856 1.00 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTLR4
Acetic Acid SCHEMBL4134829 1.00 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL158776 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8964738 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8965184 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8964734 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8965187 0.92 CYP1A2 (0.43) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL8600712 0.90 CYP1A2 (0.46) PTGER2PTGER3PTGER4HTTTSHR
Acetic Acid Methyl Ester SCHEMBL28101633 0.89 HTT (0.45) PTGER2PTGER3PTGER4HTTTLR4
SCHEMBL1614409 0.86 HTT (0.40) PTGER2PTGER3PTGER4HTTTLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045479-B2 Treatments for resistant acne VYOME THERAPEUTICS LIMITED (IN) 2021-06-29 US disclosed
EP-3698793-A1 BESIFLOXACIN FOR THE TREATMENT OF RESISTANT ACNE Vyome Therapeutics Limited (IN) 2020-08-26 EP disclosed
US-20180318313-A1 TREATMENTS FOR RESISTANT ACNE VYOME BIOSCIENCES PVT. LTD. (IN) 2018-11-08 US disclosed
US-10071103-B2 Treatments for resistant acne VYOME BIOSCIENNCES PVT. LTD. (IN) 2018-09-11 US disclosed
EP-2300146-B1 PROCESS FOR PREPARING POLYUREA MICROCAPSULES FIRMENICH & CIE (CH) 2017-03-29 EP disclosed
US-20160346294-A1 TREATMENTS FOR RESISTANT ACNE VYOME BIOSCIENCES PVT. LTD. (IN) 2016-12-01 US disclosed
US-20160128944-A1 COATED PARTICLES AND COMPOSITIONS COMPRISING SAME VYOME THERAPEUTICS LIMITED (IN) 2016-05-12 US disclosed
US-20150164117-A1 ENCAPSULATION OF FRAGRANCE AND/OR FLAVORS IN SILK FIBROIN BIOMATERIALS TUFTS UNIVERSITY 2015-06-18 US disclosed
US-20140023688-A1 ENCAPSULATED OILS FIRMENICH SA (CH) 2014-01-23 US disclosed
US-8426353-B2 Process for preparing polyurea microcapsules FIRMENICH SA (CH) 2013-04-23 US disclosed
US-20110077188-A1 PROCESS FOR PREPARING POLYUREA MICROCAPSULES FIRMENICH SA 2011-03-31 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 (5 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-10071103-B2 Treatments for resistant acne RARB, CUTA, RARG PTGER2 1072/4885PTGER3 821/4885PTGER4 1131/4885
US-20150164117-A1 ENCAPSULATION OF FRAGRANCE AND/OR FLAVORS IN SILK FIBROIN BIOMATERIALS OR51E2, TRPA1, TAS2R20 PTGER2 1184/4885PTGER3 1906/4885PTGER4 1161/4885
US-20180318313-A1 TREATMENTS FOR RESISTANT ACNE RARB, CUTA, RARG PTGER2 1072/4885PTGER3 821/4885PTGER4 1131/4885
US-20160346294-A1 TREATMENTS FOR RESISTANT ACNE CUTA, RARB, RARG PTGER2 1014/4885PTGER3 855/4885PTGER4 1277/4885
US-11045479-B2 Treatments for resistant acne RARB, CUTA, RARG PTGER2 1072/4885PTGER3 821/4885PTGER4 1131/4885

“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.