Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | CTSV | O60911 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1617879 | 0.87 | SMPD1 (0.47) | SMPD1HDAC1HDAC6HDAC8HPGD | |
| SCHEMBL8041185 | 0.85 | POLB (0.47) | SMPD1HDAC1HDAC6HDAC8HPGD | |
| SCHEMBL8041191 | 0.83 | SMPD1 (0.44) | SMPD1HDAC1HDAC6HDAC8HPGD | |
| SCHEMBL8025392 | 0.83 | CNR2 (0.43) | SMPD1HDAC1HDAC6HDAC5HDAC8 | |
| SCHEMBL8039671 | 0.83 | HDAC6 (0.53) | SMPD1HDAC1HDAC6HDAC5HDAC8 | |
| SCHEMBL12717270 | 0.80 | SMPD1 (0.44) | SMPD1HDAC1HDAC6HDAC8HPGD | |
| SCHEMBL1617764 | 0.80 | HTT (0.46) | SMPD1HDAC1HDAC6HDAC8HPGD | |
| SCHEMBL12717325 | 0.79 | SMPD1 (0.46) | SMPD1HDAC1HDAC6HDAC8HPGD | |
| SCHEMBL8027539 | 0.79 | MAPT (0.39) | HPGDNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL1618359 | 0.79 | SMPD1 (0.48) | SMPD1HDAC1HDAC6HDAC8HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7923462-B2 | Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2011-04-12 | — | — | US | disclosed |
| US-7923462-B2 | Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2011-04-12 | — | — | US | disclosed |
| US-20100280083-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2010-11-04 | — | — | US | disclosed |
| US-20100280083-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2010-11-04 | — | — | US | disclosed |
| EP-2246338-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | Kissei Pharmaceutical Co., Ltd. (JP) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009081891-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | 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-20100280083-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION | COMT, CYP2D6, CYP3A43 | SMPD1 2029/4885HDAC1 2130/4885HDAC6 1363/4885 |
“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.