Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13202635 | 0.79 | ALDH1A1 (0.36) | ALDH1A1ALOX15CXCR3SMN1; SMN2USP2 | |
| SCHEMBL10917130 | 0.77 | ALDH1A1 (0.42) | ALDH1A1ALOX15CXCR3SMN1; SMN2USP2 | |
| SCHEMBL172286 | 0.73 | — | — | |
| SCHEMBL13202637 | 0.72 | HDAC3 (0.31) | ALDH1A1 | |
| SCHEMBL295994 | 0.72 | CXCR3 (0.37) | ALDH1A1ALOX15CXCR3SMN1; SMN2USP2 | |
| SCHEMBL5320056 | 0.72 | ALDH1A1 (0.52) | ALDH1A1ALOX15CXCR3SMN1; SMN2USP2 | |
| SCHEMBL2513477 | 0.70 | ALDH1A1 (0.52) | ALDH1A1ALOX15CXCR3SMN1; SMN2USP2 | |
| SCHEMBL8381260 | 0.70 | ALDH1A1 (0.52) | ALDH1A1ALOX15SMN1; SMN2USP2NPSR1 | |
| SCHEMBL9419038 | 0.70 | ALDH1A1 (0.50) | ALDH1A1ALOX15CXCR3SMN1; SMN2USP2 | |
| SCHEMBL4999747 | 0.70 | ALDH1A1 (0.38) | ALDH1A1ALOX15CXCR3SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1955991-A2 | Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon | Air Products and Chemicals, Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| US-20080188689-A1 | Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon | VERSUM MATERIALS US, LLC | 2008-08-07 | — | — | 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-20080188689-A1 | Preparation of organic compounds bearing a trifluoromethyl group on a quaternary carbon | AFF4, RFC4, SF3B3 | ALDH1A1 2902/4885ALOX15 4083/4885CXCR3 754/4885 |
“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.