Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.53 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ERN1 | O75460 | 4/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL145377 | 0.80 | APP (0.62) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL163523 | 0.79 | APP (0.71) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL29766071 | 0.79 | APP (0.71) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL9727720 | 0.79 | APP (0.47) | APPHSD17B1HSD17B2CA1CA2 | |
| Bromide SCHEMBL31564934 | 0.77 | APP (0.69) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL27631114 | 0.77 | HSD17B1 (0.77) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL3807869 | 0.77 | ESR1 (0.49) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL21296082 | 0.77 | ESR1 (0.53) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL32677328 | 0.77 | APP (0.81) | APPHSD17B1HSD17B2CA1CA2 | |
| SCHEMBL27159530 | 0.77 | APP (0.81) | APPHSD17B1HSD17B2CA1CA2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109311844-A | Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent | 东曹株式会社 | 2019-02-05 | — | — | CN | disclosed |
| 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 | APP 4645/4885HSD17B1 435/4885HSD17B2 651/4885 |
“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.