Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL732707 | 0.80 | MEN1 (0.53) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL2300904 | 0.79 | RAB9A (0.57) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL732666 | 0.75 | MAPK1 (0.54) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL732423 | 0.74 | MEN1 (0.62) | NPC1ALDH1A1RAB9AADORA1ADORA2A | |
| SCHEMBL731107 | 0.72 | MEN1 (0.37) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL1752793 | 0.71 | NPC1 (0.53) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL25923478 | 0.70 | NPC1 (0.62) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL731429 | 0.69 | ALDH1A1 (0.42) | NPC1ALDH1A1RAB9AADORA1ADORA2A | |
| SCHEMBL8271637 | 0.69 | NPC1 (0.58) | NPC1ALDH1A1RAB9AMAPK1ADORA1 | |
| SCHEMBL29442363 | 0.69 | LTB4R (0.62) | NPC1ALDH1A1RAB9AMAPK1ADORA1 |
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 | NPC1 2438/4885ALDH1A1 113/4885RAB9A 2465/4885 |
“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.