Known targets — ChEMBL curated mechanism
CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D
The experimentally established mechanism targets of Benzoic 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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL6028035 | 0.83 | TSHR (0.61) | DAOTSHRNAPRTKMT2AMAPT | |
| Bicarbonate SCHEMBL11611153 | 0.82 | MAPT (0.45) | KMT2AMAPTTDP1MEN1GAA | |
| Bicarbonate SCHEMBL28002530 | 0.82 | MAPT (0.45) | KMT2AMAPTTDP1MEN1GAA | |
| Acetic Acid SCHEMBL8016975 | 0.81 | MAPT (0.43) | KMT2AMAPTTDP1MEN1GAA | |
| Benzoic Acid SCHEMBL6463794 | 0.81 | TSHR (0.64) | DAOTSHRNAPRTMAPTGAA | |
| Acetic Acid SCHEMBL5042427 | 0.81 | MAPT (0.43) | KMT2AMAPTTDP1MEN1GAA | |
| Acetic Acid SCHEMBL30315835 | 0.81 | MAPT (0.43) | KMT2AMAPTTDP1MEN1GAA | |
| Benzoic Acid SCHEMBL1786233 | 0.80 | TSHR (0.52) | DAOTSHRNAPRTKMT2AMAPT | |
| Benzoic Acid SCHEMBL11511172 | 0.79 | DAO (0.56) | DAOTSHRNAPRTKMT2AMEN1 | |
| SCHEMBL2562811 | 0.78 | ACHE (0.48) | KMT2AMAPTTDP1MEN1GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0916642-B1 | Method for producing hydroquinone diester derivatives | DAICEL CHEM (JP) | 2003-05-21 | — | — | EP | disclosed |
| US-6444841-B1 | — | — | 2002-09-03 | — | — | US | disclosed |
| US-6444841-B2 | REACTING A CYCLOHEX-2-ENE-1,4-DIONE DERIVATIVE IN THE PRESENCE OF AN ACID CATALYST WITH AN ACYLATING AGENT, E.G., ACETIC ANHYDRIDE; PURIFIED BY CRYSTALLIZATION TO CONTAIN ONLY 0-4% BY WEIGHT OF A CATECHOL DIESTER DERIVATIVE | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-09-03 | — | — | US | disclosed |
| US-20020007082-A1 | HYDROQUINONE DIESTER DERIVATIVES AND THE METHOD FOR PRODUCING THE SAME | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2002-01-17 | — | — | US | disclosed |
| EP-0916642-A1 | Hydroquinone diester derivatives and the method for producing the same | Daicel Chemical Industries, Ltd. (JP) | 1999-05-19 | — | — | EP | 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-20020007082-A1 | HYDROQUINONE DIESTER DERIVATIVES AND THE METHOD FOR PRODUCING THE SAME | DHCR7, AKR1D1, AKR1C2 | DPP4 2784/4885DAO 445/4885TSHR 4558/4885 |
“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.