Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 7/20 | 0.55 |
| ▸ | NPBWR1 | P48145 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.55 |
| ▸ | RELA | Q04206 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | STAT1 | P42224 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6324064 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL13217181 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL2449514 | 0.86 | KCNJ1 (0.57) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL27447055 | 0.84 | ALDH1A1 (0.63) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3640534 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL3935171 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TDP1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5219206 | 0.80 | NPBWR1 (0.77) | ALDH1A1MEN1KMT2ASMN1; SMN2POLB | |
| SCHEMBL31388528 | 0.79 | RIPK1 (0.60) | ALDH1A1MEN1KMT2ASMN1; SMN2USP2 | |
| SCHEMBL31388529 | 0.79 | RIPK1 (0.60) | ALDH1A1MEN1KMT2ASMN1; SMN2USP2 | |
| SCHEMBL31388527 | 0.79 | RIPK1 (0.60) | ALDH1A1MEN1KMT2ASMN1; SMN2USP2 |
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 | ALDH1A1 3378/4885TDP1 1664/4885MEN1 2594/4885 |
| US-20050032860-A1 | CBI analogs of CC-1065 and the duocarmycins | DBI, CCNI, DCK | ALDH1A1 2716/4885TDP1 1422/4885MEN1 3117/4885 |
“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.