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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL403378 | 0.85 | CYP1A2 (0.40) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL3033132 | 0.79 | MYC (0.40) | CYP1A2CYP2C9CYP2C19PTGDR2ALDH1A1 | |
| Acetic Acid SCHEMBL3036024 | 0.76 | ALDH1A1 (0.47) | CYP1A2MAPK1ALDH1A1MAPTKDM4E | |
| Acetic Acid SCHEMBL3656033 | 0.75 | PRNP (0.36) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3661600 | 0.74 | SMN1; SMN2 (0.40) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23243427 | 0.73 | KDM4E (0.55) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL31125276 | 0.73 | KDM4E (0.55) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12302945 | 0.73 | PTGDR2 (0.51) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 | |
| Acetic Acid SCHEMBL452191 | 0.73 | HSD17B1 (0.41) | PPARGRAB9APOLBSMN1; SMN2 | |
| SCHEMBL4942619 | 0.72 | PTGDR2 (0.44) | PRNPRXFP1CYP1A2CYP2C9CYP2C19 |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2389066-B1 | CYCLOPENTADIONE DERIVED HERBICIDES | SYNGENTA LTD (GB) | 2017-07-05 | — | — | EP | disclosed |
| EP-2155645-B1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA LTD (GB) | 2017-06-14 | — | — | EP | disclosed |
| EP-2387569-B1 | HERBCIDES | SYNGENTA LTD (GB) | 2016-06-15 | — | — | EP | disclosed |
| US-9006429-B2 | Herbicidal pyrandione, thiopyrandione, and cyclohexanetrione derivatives | SYNGENTA CROP PROTECTION, LLC (US) | 2015-04-14 | — | — | US | disclosed |
| US-20140378305-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2014-12-25 | — | — | US | disclosed |
| US-8895474-B2 | Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds | SYNGENTA LIMITED (GB) | 2014-11-25 | — | — | US | disclosed |
| US-8865623-B2 | Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds | SYNGENTA LIMITED (GB) | 2014-10-21 | — | — | US | disclosed |
| US-8828908-B2 | Herbicidally active bicyclic 1,3-dione compounds | SYNGENTA LIMITED (GB) | 2014-09-09 | — | — | US | disclosed |
| EP-2102181-B1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2014-06-18 | — | — | EP | disclosed |
| US-8741806-B2 | Herbicides | SYNGENTA LIMITED (GB) | 2014-06-03 | — | — | US | disclosed |
| WO-2010102848-A1 | CYCLOPENTADIONE DERIVED HERBICIDES | SYNGENTA LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |
| US-20100216638-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA CROP PROTECTION, INC. (US) | 2010-08-26 | — | — | US | disclosed |
| US-20100210466-A1 | 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2010-08-19 | — | — | US | disclosed |
| WO-2010081755-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2010-07-22 | — | — | WO | disclosed |
| EP-2155645-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | Syngenta Limited (GB) | 2010-02-24 | — | — | EP | disclosed |
| WO-2009150094-A1 | NOVEL HERBICIDES | SYNGENTA LIMITED (GB) | 2009-12-17 | — | — | WO | disclosed |
| WO-2009150093-A1 | NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2009-12-17 | — | — | WO | disclosed |
| EP-2102181-A1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | Syngeta Participations AG (CH) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008145336-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | SYNGENTA LIMITED (GB) | 2008-12-04 | — | — | WO | disclosed |
| WO-2008071405-A1 | 4-PHENYL-PYRANE-3,5-DIONES, 4-PHENYL-THIOPYRANE-3,5-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2008-06-19 | — | — | 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 (3 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100210466-A1 | 4-PHENYL-PYRANE-3,5-DIONES,4-PHENYL-THIOPYRANE-3,6-DIONES AND CYCLOHEXANETRIONES AS NOVEL HERBICIDES | DDT, HPD, CYP4B1 | ESR1 1240/4885ESR2 484/4885PRNP 4488/4885 |
| US-20140378305-A1 | NOVEL HERBICIDES | DDT, CYP4X1, CYP1B1 | ESR1 1944/4885ESR2 1677/4885PRNP 4868/4885 |
| US-20100216638-A1 | HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS | DDT, CYP1B1, CYP1A1 | ESR1 3004/4885ESR2 2107/4885PRNP 4874/4885 |
“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.