Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1,4-Butanediol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.33 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.30 |
| ▸ | GSTM2 | P28161 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL1220765 | 1.00 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,4-Butanediol SCHEMBL9322154 | 1.00 | CA5A (0.57) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25202723 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25180668 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,5-Pentanediol SCHEMBL9875084 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25264224 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL25180692 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| Nitric Acid SCHEMBL9874805 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,6-Hexanediol SCHEMBL3771601 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 | |
| 1,6-Hexanediol SCHEMBL9873793 | 0.97 | CA5A (0.53) | CA5ACA5BALDH1A1TDP1SMN1; SMN2 |
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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8586790-B2 | Anhydride derivatives of 2-(S)-(6-methoxy-2-naphtyl)-propanoic acid, preparation method and use thereof | EVERLIGHT USA, INC. (US) | 2013-11-19 | — | — | US | claimed |
| US-20120226068-A1 | ANHYDRIDE DERIVATIVES OF 2-(S)-(6-METHOXY-2-NAPHTYL)-PROPANOIC ACID, PREPARATION METHOD AND USE THEREOF | EVERLIGHT USA, INC. (US) | 2012-09-06 | — | — | US | claimed |
| US-7947855-B2 | Process for the purification of 1,4-butanediol mononitrate | DIPHARMA S.P.A. (IT) | 2011-05-24 | — | — | US | claimed |
| US-7851649-B2 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2010-12-14 | — | — | US | claimed |
| EP-1560804-B1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA FRANCIS SRL (IT) | 2009-04-29 | — | — | EP | claimed |
| US-20080293961-A1 | PROCESS FOR THE PURIFICATION OF 1,4-BUTANEDIOL MONONITRATE | DIPHARMA S.P.A. (IT) | 2008-11-27 | — | — | US | claimed |
| US-20080146830-A1 | PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA S.P.A. (IT) | 2008-06-19 | — | — | US | claimed |
| US-7335789-B2 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2008-02-26 | — | — | US | claimed |
| EP-1560805-B1 | A PROCESS FOR THE PURIFICATION OF 1,4-BUTANEDIOL MONONITRATE | DIPHARMA FRANCIS SRL (IT) | 2007-07-04 | — | — | EP | claimed |
| US-20060135806-A1 | Process for the purification of 1,4-butanediol mononitrate | DIPHARMA S.P.A. (IT) | 2006-06-22 | — | — | US | claimed |
| US-20060128983-A1 | Process for the mononitration of alkanediols | DIPHARMA S.P.A. (IT) | 2006-06-15 | — | — | US | claimed |
| EP-1560804-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | Dipharma S.p.A. (IT) | 2005-08-10 | — | — | EP | claimed |
| EP-1560805-A1 | A PROCESS FOR THE PURIFICATION OF 1,4-BUTANEDIOL MONONITRATE | Dipharma S.p.A. (IT) | 2005-08-10 | — | — | EP | claimed |
| WO-2004043897-A1 | A PROCESS FOR THE PURIFICATION OF 1,4-BUTANEDIOL MONONITRATE | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | WO | claimed |
| WO-2004043898-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | WO | claimed |
| EP-3849340-B1 | PROCESS FOR THE MANUFACTURE OF OMEGA NITROOXY-1-ALKANOLS | DSM IP ASSETS BV (NL) | 2023-12-13 | — | — | EP | disclosed |
| EP-3240547-A1 | NOVEL CALCIUM MODULATORS | Myotherix Inc. (US) | 2017-11-08 | — | — | EP | disclosed |
| WO-2004043897-A1 | A PROCESS FOR THE PURIFICATION OF 1,4-BUTANEDIOL MONONITRATE | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004043898-A1 | A PROCESS FOR THE MONONITRATION OF ALKANEDIOLS | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | WO | disclosed |
| WO-2004043897-A1 | A PROCESS FOR THE PURIFICATION OF 1,4-BUTANEDIOL MONONITRATE | DIPHARMA S.P.A. (IT) | 2004-05-27 | — | — | 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-20120226068-A1 | ANHYDRIDE DERIVATIVES OF 2-(S)-(6-METHOXY-2-NAPHTYL)-PROPANOIC ACID, PREPARATION METHOD AND USE THEREOF | CA6, NAAA, HACL2 | CA5A 30/4885CA5B 38/4885ALDH1A1 387/4885 |
“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.