Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.32 |
| ▸ | ALPL | P05186 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.31 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL730957 | 0.85 | CLK4 (0.34) | ALDH1A1XDHSMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL4422394 | 0.82 | — | — | |
| SCHEMBL907784 | 0.72 | NQO1 (0.52) | ALDH1A1TP53MAPTNQO1KDM4E | |
| SCHEMBL733145 | 0.69 | RXRA (0.47) | ALDH1A1TP53MAPTGAATTK | |
| SCHEMBL732864 | 0.69 | ALDH1A1 (0.35) | ALDH1A1TP53XDHMAPTGAA | |
| SCHEMBL12130262 | 0.68 | CYP1A1 (0.49) | ALDH1A1MAPTGAAKDM4ESMN1; SMN2 | |
| SCHEMBL10858288 | 0.67 | TP53 (0.53) | ALDH1A1TP53MAPTGAANQO1 | |
| SCHEMBL5378750 | 0.66 | TTK (0.62) | ALDH1A1TP53XDHMAPTTTK | |
| SCHEMBL2028420 | 0.66 | — | — | |
| SCHEMBL5740806 | 0.65 | NQO1 (0.44) | ALDH1A1TP53MAPTNQO1KDM4E |
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 113/4885TP53 2365/4885XDH 1592/4885 |
“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.