Acetic Acid

Acetic Acid

SCHEMBL2465801

CC(=O)O.CC(=O)O.NCCNCc1ccccc1O

nearest known ligand 0.64

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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 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.64
CA2 P00918 6/20 0.64
CA9 Q16790 5/20 0.64
TSHR P16473 2/20 0.64
KDM4E B2RXH2 1/20 0.64
HSD17B10 Q99714 1/20 0.64
MPO P05164 9/20 0.58
SLC6A4 P31645 2/20 0.58
CYP2D6 P10635 1/20 0.56
HIF1A Q16665 1/20 0.56
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.50

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 SCHEMBL10380814 0.90 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL2549012 0.90 CA12 (0.78) CA12CA2CA9TSHRKDM4E
Hydrochloric Acid SCHEMBL8945386 0.88 CA12 (0.75) CA12CA2CA9TSHRKDM4E
SCHEMBL29134037 0.88 CA12 (0.75) CA12CA2CA9TSHRKDM4E
SCHEMBL12996038 0.86 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL7914586 0.86 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL9098622 0.83 CA12 (0.79) CA12CA2CA9TSHRKDM4E
Acetic Acid SCHEMBL8540399 0.80 MEN1 (0.57) TSHRKDM4EMPOCYP2D6MEN1
Acetic Acid SCHEMBL29290494 0.80 MEN1 (0.57) TSHRKDM4EMPOCYP2D6MEN1
Acetic Acid SCHEMBL28252800 0.80 MEN1 (0.57) TSHRKDM4EMPOCYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115870668-A Water-soluble pre-welding agent and surface treatment method 株式会社田村制作所 2023-03-31 CN disclosed
CN-105917234-B Iron (II) ion detector and detection method using same 瑟乐斯佩克株式会社 2020-03-03 CN disclosed
US-20110244461-A1 METHOD FOR PREPARING STOOL SAMPLE, SOLUTION FOR PREPARING STOOL SAMPLE AND STOOL COLLECTION KIT OLYMPUS CORPORATION (JP) 2011-10-06 US disclosed
US-20110236895-A1 METHOD FOR PREPARING SAMPLE, SOLUTION FOR PREPARING SAMPLE AND STOOL COLLECTION KIT METHOD FOR ANALYZING A NUCLEIC ACID OLYMPUS CORPORATION (JP) 2011-09-29 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 (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-20110236895-A1 METHOD FOR PREPARING SAMPLE, SOLUTION FOR PREPARING SAMPLE AND STOOL COLLECTION KIT METHOD FOR ANALYZING A NUCLEIC ACID SI, RNASE1, DNASE1 CA12 328/4885CA2 240/4885CA9 52/4885

“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.