Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,6-Hexanediol. 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 | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
| ▸ | GSTM2 | P28161 | 3/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL9874805 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| 1,5-Pentanediol SCHEMBL3765568 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| 1,6-Hexanediol SCHEMBL3771601 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| Nitric Acid SCHEMBL25264224 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| 1,5-Pentanediol SCHEMBL9875084 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| Nitric Acid SCHEMBL25180668 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| Nitric Acid SCHEMBL25202723 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| Nitric Acid SCHEMBL25180692 | 1.00 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1GPR84 | |
| 1,4-Butanediol SCHEMBL1220765 | 0.97 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1GPR84 | |
| 1,4-Butanediol SCHEMBL9322154 | 0.97 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1GPR84 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5049694-A | Cardiovascular disorders | CEDONA PHARMACEUTICALS B.V. (NL) | 1991-09-17 | — | — | US | claimed |
| US-12612356-B2 | Process for nitrate ester formation of an α,ω-alkanediol monoacylate | DSM IP ASSETS B.V. (NL) | 2026-04-28 | — | — | US | disclosed |
| US-12522558-B2 | Process for the acylation of an alpha, omega-alkanediol | DSM IP ASSETS B.V. (CH) | 2026-01-13 | — | — | US | disclosed |
| EP-4139279-B1 | PROCESS FOR THE ACYLATION OF AN ALPHA,OMEGA-ALKANEDIOL | DSM IP ASSETS BV (NL) | 2024-04-17 | — | — | EP | disclosed |
| US-20230167047-A1 | PROCESS FOR THE ACYLATION OF AN ALPHA, OMEGA-ALKANDIOL | DSM IP ASSETS B.V. (NL) | 2023-06-01 | — | — | US | disclosed |
| US-20230167048-A1 | PROCESS FOR THE PREPARATION OF OMEGA-ALKANEDIOL MONONITRATE | DSM IP ASSETS B.V. (NL) | 2023-06-01 | — | — | US | disclosed |
| US-20230150917-A1 | PROCESS FOR THE PREPARATION OF ALPHA,OMEGA-ALKANEDIOL MONONITRATE | DSM IP ASSETS B.V. (NL) | 2023-05-18 | — | — | US | disclosed |
| US-20230150916-A1 | PROCESS FOR NITRATE ESTER FORMATION OF AN ALPHA,OMEGA-ALKANEDIOL MONOACYLATE | DSM IP ASSETS B.V. (NL) | 2023-05-18 | — | — | US | disclosed |
| CN-115461321-A | Process for preparing alpha, omega-alkanediol mononitrate | 帝斯曼知识产权资产管理有限公司 | 2022-12-09 | — | — | CN | disclosed |
| CN-115443263-A | Process for acylating alpha, omega-alkanediols | 帝斯曼知识产权资产管理有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-115427390-A | Method for nitrate ester formation of alpha, omega-alkanediol monoacylates | 帝斯曼知识产权资产管理有限公司 | 2022-12-02 | — | — | CN | disclosed |
| CN-115427389-A | Process for the preparation of omega-alkanediol mononitrate | 帝斯曼知识产权资产管理有限公司 | 2022-12-02 | — | — | CN | disclosed |
| US-5049694-A | Cardiovascular disorders | CEDONA PHARMACEUTICALS B.V. (NL) | 1991-09-17 | — | — | US | disclosed |
| EP-0359335-A2 | Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance | CEDONA PHARMACEUTICALS B.V. (NL) | 1990-03-21 | — | — | EP | disclosed |
| US-3943820-A | Method for charging drill holes with explosive | NITRO NOBEL AB (SW) | 1976-03-16 | — | — | 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-12612356-B2 | Process for nitrate ester formation of an α,ω-alkanediol monoacylate | ELOVL3, ELOVL1, PTGES | CA5A 2690/4885CA5B 3536/4885ALDH1A1 490/4885 |
“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.