Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.40 |
| ▸ | TTR | P02766 | 2/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 7/20 | 0.36 |
| ▸ | IP6K3 | Q96PC2 | 2/20 | 0.36 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL731026 | 0.86 | KDM4E (0.40) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL28992433 | 0.81 | ALOX15 (0.38) | ALDH1A1KDM4EHSD17B10HPGDKDM5A | |
| SCHEMBL28992437 | 0.79 | ALOX15 (0.36) | ALDH1A1KDM4EHSD17B10HPGDKDM5A | |
| SCHEMBL732579 | 0.75 | ALDH1A1 (0.67) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL30811837 | 0.74 | CHRNB2 (0.42) | — | |
| SCHEMBL730914 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL742270 | 0.72 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL4231277 | 0.69 | KMO (0.53) | ALDH1A1KDM4EGAAHPGDKMO | |
| SCHEMBL21817818 | 0.69 | ALDH1A1 (0.54) | ALDH1A1KDM4EGAAHSD17B10HPGD | |
| SCHEMBL594366 | 0.68 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAHSD17B10HPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120569-B1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME (US) | 2013-08-14 | — | — | EP | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | 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-20090270436-A1 | SPIROCHROMANON DERIVATIVES | AKR1C3, CBR3, AKR1C4 | ALDH1A1 113/4885KDM4E 3445/4885GAA 3801/4885 |
“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.