Acetic Acid

Acetic Acid

SCHEMBL700515

CC(=O)O.CC(C)(C)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

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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 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
EPHX1 P07099 3/20 0.37
LMNA P02545 2/20 0.37
EPHX2 P34913 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35

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
SCHEMBL2825436 0.85 GRIN2D (0.45) THRBLMNASIGMAR1SLC22A2SLC22A1
SCHEMBL4990698 0.77 THRB (0.38) THRBCYP2C9EPHX1LMNAEPHX2
SCHEMBL9724273 0.74 THRB (0.39) THRBCYP2C9EPHX1LMNAEPHX2
SCHEMBL10976047 0.74 THRB (0.39) THRBCYP2C9EPHX1LMNAEPHX2
SCHEMBL2194685 0.74 THRB (0.35) THRBCYP2C9EPHX1LMNAEPHX2
SCHEMBL2190387 0.74 THRB (0.35) THRBCYP2C9EPHX1LMNAEPHX2
Acetic Acid SCHEMBL9168733 0.73 THRB (0.41) THRBCYP2C9EPHX1EPHX2ALDH1A1
Acetic Acid SCHEMBL9166776 0.73 THRB (0.41) THRBCYP2C9EPHX1EPHX2ALDH1A1
Acetic Acid SCHEMBL3328941 0.73 THRB (0.41) THRBCYP2C9EPHX1EPHX2ALDH1A1
SCHEMBL4985264 0.73 LMNA (0.37) EPHX1LMNAEPHX2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802348-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2014-08-12 US disclosed
US-8377627-B2 Compound and radiation-sensitive composition JSR CORPORATION (JP) 2013-02-19 US disclosed
EP-1961739-B1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR CORP (JP) 2012-10-17 EP disclosed
US-8273837-B2 Compound, polymer, and resin composition JSR CORPORATION (JP) 2012-09-25 US disclosed
US-20120164586-A1 PATERN FORMING METHOD JSR CORPORATION (JP) 2012-06-28 US disclosed
US-8182977-B2 Polymer and positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2012-05-22 US disclosed
US-8124314-B2 Radiation-sensitive composition JSR CORPORATION (JP) 2012-02-28 US disclosed
US-8084188-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2011-12-27 US disclosed
US-20110117489-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION JSR CORPORATION (JP) 2011-05-19 US disclosed
US-20100239981-A1 POLYMER AND POSITIVE-TONE RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-09-23 US disclosed
US-20090305161-A1 LIQUID IMMERSION LITHOGRAPHY JSR CORPORATION (JP) 2009-12-10 US disclosed
US-7452655-B2 Acrylic copolymer and radiation-sensitive resin composition JSR CORPORATION (JP) 2008-11-18 US disclosed
EP-1961739-A1 NOVEL COMPOUND, POLYMER, AND RESIN COMPOSITION JSR Corporation (JP) 2008-08-27 EP disclosed
EP-1953595-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-20070148585-A1 Hyperbranched polymer, production method therefor and resist composition containing hyperbranched polymer LION CORPORATION. 2007-06-28 US disclosed
EP-1698645-A1 HYPERBRANCHED POLYMER, PROCESS FOR PRODUCING THE SAME AND RESIST COMPOSITION CONTAINING THE HYPERBRANCHED POLYMER Lion Corporation (JP) 2006-09-06 EP disclosed
US-20060074139-A1 Acrylic copolymer and radiation-sensitive resin composition JSR CORPORATION (JP) 2006-04-06 US disclosed
EP-1586594-A1 ACRYLIC COPOLYMER AND RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2005-10-19 EP disclosed
US-6403280-B1 TERPOLYMER COMPRISING MALEIC ANHYDRIDE, NORBORNENE ESTER DERIVATIVE, AND ALICYCLIC (METH)ACRYLATE MONOMERS; DURABILITY TO DRY ETCHING; TRANSPARENCY, STORAGE STABILITY JSR CORPORATION (JP) 2002-06-11 US disclosed
EP-1048983-A1 Radiation sensitive resin composition JSR Corporation (JP) 2000-11-02 EP 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-20110117489-A1 COMPOUND AND RADIATION-SENSITIVE COMPOSITION ERCC2, RAD51, ATM THRB 2934/4885CYP2C9 3098/4885EPHX1 1290/4885

“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.