Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL18919754 | 0.81 | NR4A2 (0.52) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL3338049 | 0.73 | MEN1 (0.58) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL6331518 | 0.70 | KDM4E (0.47) | GAAKDM4EALDH1A1HTTNPSR1 | |
| Iodide SCHEMBL6330884 | 0.70 | GLA (0.46) | GAAGLA | |
| SCHEMBL6400977 | 0.70 | KDM4E (0.41) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL5110285 | 0.65 | KDM4E (0.54) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL20569373 | 0.65 | PARP15 (0.41) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL27385781 | 0.65 | GABRA1 (0.44) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL4165663 | 0.64 | ALOX5 (0.47) | GAAKDM4EALDH1A1HTTNPSR1 | |
| SCHEMBL18919709 | 0.64 | ALDH1A1 (0.44) | GAAKDM4EALDH1A1MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050032860-A1 | CBI analogs of CC-1065 and the duocarmycins | THE SCRIPPS RESEARCH INSTITUTE (US) | 2005-02-10 | — | — | US | disclosed |
| US-20040002528-A1 | CBI analogs of CC-1065 and the duocarmycins | THE SCRIPPS RESEARCH INSTITUTE (US) | 2004-01-01 | — | — | US | disclosed |
| US-6548530-B1 | Antitumor drugs incorporate the 1,2,9,9a-tetrahydrocyclopropa(c)benz(e)indol-4-one (CBI) alkylation subunit; cytotoxic activity | THE SCRIPPS RESEARCH INSTITUTE | 2003-04-15 | — | — | US | disclosed |
| EP-0862553-A4 | CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | SCRIPPS RESEARCH INST (US) | 1999-02-03 | — | — | EP | disclosed |
| EP-0862553-A1 | CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | The Scripps Research Institute (US) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997012862-A1 | CBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1997-04-10 | — | — | 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 (2 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-20040002528-A1 | CBI analogs of CC-1065 and the duocarmycins | DBI, DCK, CCNI | GAA 2484/4885KDM4E 721/4885ALDH1A1 3378/4885 |
| US-20050032860-A1 | CBI analogs of CC-1065 and the duocarmycins | DBI, CCNI, DCK | GAA 2287/4885KDM4E 479/4885ALDH1A1 2716/4885 |
“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.