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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | DAO | P14920 | 1/20 | 0.56 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.47 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.45 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 SCHEMBL28890058 | 0.87 | TSHR (0.74) | TSHRDAONAPRTSIGMAR1CES2 | |
| Benzoic Acid SCHEMBL2491831 | 0.85 | TSHR (0.70) | TSHRDAONAPRTSIGMAR1CES2 | |
| Benzoic Acid SCHEMBL2492854 | 0.81 | TSHR (0.64) | TSHRDAONAPRTSIGMAR1CES2 | |
| SCHEMBL13801428 | 0.80 | SIGMAR1 (0.72) | SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Benzoic Acid SCHEMBL1716154 | 0.79 | TSHR (0.61) | TSHRDAONAPRTSIGMAR1CES2 | |
| Biphenyl SCHEMBL10897390 | 0.79 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL1249244 | 0.79 | TSHR (0.61) | TSHRDAONAPRTSIGMAR1CES2 | |
| Biphenyl SCHEMBL26606260 | 0.79 | TSHR (0.61) | TSHRDAONAPRTCES2CES1 | |
| Benzoic Acid SCHEMBL8502658 | 0.78 | TSHR (0.58) | TSHRDAONAPRTSIGMAR1CES2 | |
| Benzoic Acid SCHEMBL1088757 | 0.78 | TSHR (0.58) | TSHRDAONAPRTSIGMAR1CES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3373933-B1 | BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME (US) | 2020-08-26 | — | — | EP | disclosed |
| US-20180305332-A1 | Bispiperidinyl Derivatives as Liver X Receptor Beta Agonists, Compositions, and Their Use | MERCK SHARP & DOHME CORP. (US) | 2018-10-25 | — | — | US | disclosed |
| EP-3373933-A1 | BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2018-09-19 | — | — | EP | disclosed |
| WO-2017083219-A1 | BISPIPERIDINYL DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-05-18 | — | — | 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-20180305332-A1 | Bispiperidinyl Derivatives as Liver X Receptor Beta Agonists, Compositions, and Their Use | NR1H2, NR1H3, NR1H4 | TSHR 569/4885DAO 2039/4885NAPRT 2700/4885 |
“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.