Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | CASP3 | P42574 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.59 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.59 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5708657 | 1.00 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL9084215 | 0.88 | CYP1A2 (0.88) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL8914866 | 0.88 | CYP1A2 (0.88) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL17266522 | 0.86 | CYP1A2 (0.90) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL8918661 | 0.82 | CYP1A2 (0.62) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL10458108 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL8621890 | 0.81 | CYP1A2 (0.70) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL9081746 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL4397266 | 0.79 | CYP1A2 (0.77) | CYP1A2CYP2D6CYP2C19NPC1CASP3 | |
| SCHEMBL14846522 | 0.79 | CYP1A2 (0.67) | CYP1A2CYP2D6CYP2C19NPC1CASP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8450348-B2 | Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects | FORMA TM, LLC (US) | 2013-05-28 | — | — | US | disclosed |
| US-8450348-B2 | Such as 3-[6-(4-Chloro-phenoxy)-hexylamino]-4-(pyridin-4-ylamino)-cyclobut-3-ene-1,2-dione; cancer, tumors; reduced side effects | FORMA TM, LLC (US) | 2013-05-28 | — | — | US | disclosed |
| EP-2096107-A1 | Derivatives of squaric acid with anti-proliferative activity | GPC Biotech AG (DE) | 2009-09-02 | — | — | EP | disclosed |
| US-20080200523-A1 | Derivatives of squaric acid with anti-proliferative activity | Valo Health, LLC | 2008-08-21 | — | — | US | 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-20080200523-A1 | Derivatives of squaric acid with anti-proliferative activity | SQLE, FDFT1, DLD | CYP1A2 4547/4885CYP2D6 4490/4885CYP2C19 4811/4885 |
“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.