Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.52 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.45 |
| ▸ | TUBB | P07437 | 1/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.45 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL729645 | 0.88 | RXRA (0.54) | HSD17B1HSD17B2PTGS2MAOAMAOB | |
| SCHEMBL103794 | 0.78 | TUBB4A (0.58) | CDK8MAOAMAOBTUBB4ATUBB | |
| SCHEMBL29377304 | 0.78 | TUBB4A (0.58) | CDK8MAOAMAOBTUBB4ATUBB | |
| SCHEMBL1648927 | 0.78 | CDK8 (0.45) | PTGS2CDK8MAOAMAOBTUBB4A | |
| Hydrochloric Acid SCHEMBL28263909 | 0.77 | TUBB4A (0.57) | CDK8MAOAMAOBTUBB4ATUBB | |
| Ammonia Solution, Strong SCHEMBL28339305 | 0.77 | TUBB4A (0.57) | CDK8MAOAMAOBTUBB4ATUBB | |
| SCHEMBL7089083 | 0.77 | NPC1 (0.62) | HSD17B1HSD17B2CYP11B1CYP11B2PTGS2 | |
| SCHEMBL31504069 | 0.76 | NPC1 (0.62) | HSD17B1HSD17B2MAOAMAOBGHSR | |
| SCHEMBL1646994 | 0.75 | KDM4E (0.55) | PTGS2CDK8MAOBKDREGFR | |
| SCHEMBL31464238 | 0.75 | KDM4E (0.55) | PTGS2CDK8MAOBKDREGFR |
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 9 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 |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | 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 |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | 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 | HSD17B1 435/4885HSD17B2 651/4885CYP11B1 106/4885 |
“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.