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 | 2/20 | 0.39 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | PON1 | P27169 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 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 SCHEMBL3271275 | 0.83 | GLA (0.64) | GLASTING1MCL1ESR2PON1 | |
| SCHEMBL3271374 | 0.79 | GLA (0.73) | GLASTING1MCL1ESR1ESR2 | |
| SCHEMBL13395983 | 0.79 | GLA (0.58) | GLASTING1MCL1ESR1ESR2 | |
| SCHEMBL3267026 | 0.77 | ESR2 (0.47) | GLASTING1MCL1ESR1ESR2 | |
| Acetic Acid SCHEMBL1268504 | 0.73 | GLA (0.58) | GLASTING1MCL1NPC1RAB9A | |
| SCHEMBL3268787 | 0.73 | GLA (0.54) | GLASTING1MCL1PON1NPC1 | |
| SCHEMBL24403682 | 0.70 | GLA (0.49) | GLASTING1MCL1ESR1ESR2 | |
| Acetic Acid SCHEMBL3273667 | 0.69 | GLA (0.44) | GLASTING1MCL1TTRMEN1 | |
| SCHEMBL153081 | 0.69 | GLA (0.46) | GLASTING1MCL1PON1NQO1 | |
| SCHEMBL13395991 | 0.68 | GLA (0.62) | GLASTING1MCL1ESR2PON1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8350065-B2 | 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same | GRAND PHARMA (CHINA) CO., LTD. (CN) | 2013-01-08 | — | — | US | disclosed |
| EP-2196463-A1 | PREPARATION OF 5,6-DIMETHYLXANTHONE-4-ACETIC ACID, THE DERIVATIVES PREPARED AND PHARMACEUTICAL FORMULATIONS THEREOF | Wuhan Grand Pharmaceutical Group Co., Ltd (CN) | 2010-06-16 | — | — | EP | disclosed |
| US-20100099754-A1 | 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME | GRAND PHARMA (CHINA) CO., LTD. (CN) | 2010-04-22 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100099754-A1 | 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME | HCAR2, HAO2, HK2 | ESR1 1142/4885ESR2 345/4885GLA 2459/4885 |
“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.