Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Benzoyl Chloride. 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 | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.55 |
| ▸ | CES2 | O00748 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | DAO | P14920 | 1/20 | 0.55 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL5614595 | 0.97 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL8995857 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL19185622 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL1331834 | 0.97 | — | — | |
| Benzoyl Chloride SCHEMBL14359354 | 0.97 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL1241 | 0.97 | — | — | |
| Benzoyl Chloride SCHEMBL10363896 | 0.94 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL8418389 | 0.94 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL1773097 | 0.94 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Benzoyl Chloride SCHEMBL2033224 | 0.94 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| CN-101381302-A | 2-bromomethyl-6-methyl benzoyl chloride/bromium and preparation method thereof | SHANGHAI CHEMPARTNER CO LTD (CN) | 2009-03-11 | — | — | CN | disclosed |
| US-7332522-B2 | Liver function protecting or ameliorating agent | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2008-02-19 | — | — | US | disclosed |
| US-20040122085-A1 | Liver funcion protecting or ameliorating agent | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2004-06-24 | — | — | US | disclosed |
| EP-1384475-A1 | LIVER FUNCION PROTECTING OR AMELIORATING AGENT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2004-01-28 | — | — | 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-20040122085-A1 | Liver funcion protecting or ameliorating agent | FABP1, GLS2, PYGL | CES1 50/4885CES2 542/4885ALDH1A1 1060/4885 |
“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.