Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20397947 | 0.82 | TDP1 (0.50) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL9763370 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL4644782 | 0.80 | ALDH1A1 (0.55) | ALDH1A1TDP1LMNANPC1RAB9A | |
| SCHEMBL3845851 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL335181 | 0.80 | ALDH1A1 (0.64) | ALDH1A1TDP1HCAR2LMNANPC1 | |
| SCHEMBL383730 | 0.79 | LMNA (0.57) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL233782 | 0.77 | THRB (0.50) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL2706957 | 0.77 | ESR1 (0.45) | ALDH1A1TDP1HCAR2KEAP1FFAR1 | |
| SCHEMBL6341147 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TDP1HCAR2NPC1RAB9A | |
| Bicarbonate SCHEMBL28009994 | 0.76 | TDP1 (0.52) | ALDH1A1TDP1HCAR2KEAP1FFAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1282604-B1 | SUBSTITUTED CAPROLACTAM CARBONATES AND ETHERS AND THEIR USE AS ANTI-TUMOR AGENTS | NOVARTIS AG (CH) | 2008-01-09 | — | — | EP | disclosed |
| US-6599898-B2 | Selected from the group consisting of breast, lung, non-small cell lung, osteolytic, colon and prostate | NOVARTIS AG (CH) | 2003-07-29 | — | — | US | disclosed |
| US-20030055041-A1 | Certain substituted caprolactam carbonates and ethers, pharmaceutical compositions containing them and their use in treating tumors | KINDER FREDERICK RAY (US) | 2003-03-20 | — | — | US | disclosed |
| EP-1282604-A1 | SUBSTITUTED CAPROLACTAM CARBONATES AND ETHERS AND THEIR USE AS ANTI-TUMOR AGENTS | Novartis AG (CH) | 2003-02-12 | — | — | EP | disclosed |
| US-6413954-B1 | 3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-N-((3,6)-HEXAHYDRO-2 -OXO-6-(((DECYLOXY)CARBONYL)OXY)-2H-AZEPIN-3-YL)NON-6-ENON-AMIDES; SYNTHESIS BY ACYLATION AND HYDROLYSIS; HIGHER SELECTIVITY IN KILLING CANCER CELLS; CHEMOTHERAPY | NOVARTIS AG (CH) | 2002-07-02 | — | — | US | disclosed |
| WO-2001085697-A1 | SUBSTITUTED CAPROLACTAM CARBONATES AND ETHERS AND THEIR USE AS ANTI-TUMOR AGENTS | NOVARTIS AG (CH) | 2001-11-15 | — | — | 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-20030055041-A1 | Certain substituted caprolactam carbonates and ethers, pharmaceutical compositions containing them and their use in treating tumors | VHL, CAPRIN1, CAPN9 | ALDH1A1 3668/4885TDP1 4193/4885HCAR2 2051/4885 |
“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.