Acetic Acid

Acetic Acid

SCHEMBL6280981

CC(=O)[O-].CC(=O)[O-].Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.Clc1cccc(Cl)c1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2.[Mn+2]

nearest known ligand 0.47

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 13)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ FFAR1 O14842 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ TOP1 P11387 3/20 0.32
▸ DGAT1 O75907 2/20 0.32
▸ PTGES O14684 1/20 0.32
▸ CYCS P99999 3/20 0.31
▸ ENPP2 Q13822 1/20 0.30
▸ GRIA1 P42261 2/20 0.30
▸ CACNG8 Q8WXS5 2/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL17112278 0.86 STAT3 (0.55) STAT3STAT1FFAR1TOP1CYCS
SCHEMBL19407291 0.80 STAT3 (0.74) STAT3STAT1TOP1PTGESCYCS
Acetic Acid SCHEMBL29181913 0.78 STAT3 (0.33) STAT3STAT1
SCHEMBL9764318 0.77 STAT3 (0.58) STAT3STAT1PTGES
SCHEMBL5013624 0.77 STAT3 (0.57) STAT3STAT1TOP1CYCSENPP2
SCHEMBL17112277 0.75 STAT3 (0.39) STAT3STAT1JAK2TYK2DGAT1
SCHEMBL9641446 0.75 STAT3 (0.44) STAT3STAT1ENPP2
Acetic Acid SCHEMBL21121213 0.75 STAT3 (0.33) STAT3STAT1
Acetic Acid SCHEMBL28646520 0.75 STAT3 (0.33) STAT3STAT1
Acetic Acid SCHEMBL28633839 0.75 STAT3 (0.33) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953868-B2 Oxyfunctionalization of polyolefins DOW GLOBAL TECHNOLOGIES INC. (US) 2005-10-11 — — US claimed
US-20040249086-A1 Oxyfunctionalization of polyolefins REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-12-09 — — US claimed

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-20040249086-A1 Oxyfunctionalization of polyolefins PPOX, PPIF, ETFA STAT3 2942/4885STAT1 2908/4885FFAR1 4386/4885

“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.

Send feedback