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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL94237 | 0.84 | — | — | |
| Acetic Acid SCHEMBL27533339 | 0.71 | CYP3A4 (0.32) | FFAR3CYP3A4 | |
| SCHEMBL126906 | 0.70 | FFAR3 (0.32) | FFAR3 | |
| SCHEMBL899723 | 0.69 | — | — | |
| SCHEMBL10614968 | 0.68 | — | — | |
| SCHEMBL3410195 | 0.67 | — | — | |
| Acetic Acid SCHEMBL29159728 | 0.67 | FFAR3 (0.54) | FFAR3LCKFYNCYP3A4 | |
| SCHEMBL899983 | 0.65 | — | — | |
| SCHEMBL899988 | 0.65 | — | — | |
| SCHEMBL20445738 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100041918-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | NOVARTIS AG | 2010-02-18 | — | — | US | disclosed |
| US-20100041918-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | NOVARTIS AG | 2010-02-18 | — | — | US | disclosed |
| CN-101553459-A | Cyclopentene diol monoacetate derivatives | NOVARTIS AG (CH) | 2009-10-07 | — | — | CN | disclosed |
| CN-101553459-A | Cyclopentene diol monoacetate derivatives | NOVARTIS AG (CH) | 2009-10-07 | — | — | CN | disclosed |
| EP-2084121-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | Novartis AG (CH) | 2009-08-05 | — | — | EP | disclosed |
| EP-2084121-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | Novartis AG (CH) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008055874-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | NOVARTIS AG (CH) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008055874-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | NOVARTIS AG (CH) | 2008-05-15 | — | — | 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 (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-20100041918-A1 | CYCLOPENTENE DIOL MONOACETATE DERIVATIVES | ADH1A, CYP1B1, CYP1A2 | FFAR3 1083/4885LCK 3915/4885FYN 2673/4885 |
“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.