Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RCE1 | Q9Y256 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 5/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23485236 | 0.85 | CDC7 (0.39) | KDM4EHSD17B10ALDH1A1MAPK8ADORA3 | |
| SCHEMBL23459611 | 0.84 | CDC7 (0.41) | KDM4EMAPK8CDC7DBF4CCNE1 | |
| Lithium Ion SCHEMBL23459485 | 0.83 | KDM4E (0.31) | KDM4EMAPT | |
| SCHEMBL23485570 | 0.77 | MAPT (0.35) | KDM4EHSD17B10ALDH1A1HPGDRET | |
| SCHEMBL23459610 | 0.76 | MAPT (0.34) | HSD17B10RETMAPTKMT2A | |
| SCHEMBL23459491 | 0.75 | NEK1 (0.35) | KDM4EHSD17B10ALDH1A1GAAHPGD | |
| SCHEMBL29997650 | 0.75 | NEK1 (0.35) | KDM4EHSD17B10ALDH1A1GAAHPGD | |
| SCHEMBL29997633 | 0.71 | BAZ2B (0.39) | KDM4EALDH1A1GAAHPGDHTT | |
| SCHEMBL23485549 | 0.69 | GPR35 (0.32) | — | |
| SCHEMBL23460395 | 0.69 | BAZ2B (0.42) | KDM4EALDH1A1HPGDHTTNCOA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20230101747-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2023-03-30 | — | — | US | disclosed |
| EP-4069369-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-10-12 | — | — | EP | disclosed |
| WO-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | WO | disclosed |
| WO-2021113492-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. (US) | 2021-06-10 | — | — | 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-20230101747-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | PLK1, DCK, CSNK1A1 | KDM4E 2909/4885HSD17B10 1417/4885ALDH1A1 2801/4885 |
“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.