Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.53 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.49 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20929548 | 0.93 | NR1H2 (0.65) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL8259846 | 0.83 | ESR2 (0.62) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL25337940 | 0.81 | DDB1 (0.58) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL3873145 | 0.81 | ABHD6 (0.65) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL38652842 | 0.81 | ABHD6 (0.62) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL31070584 | 0.80 | ABHD6 (0.64) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL20929489 | 0.79 | NR1H2 (0.61) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL4922346 | 0.79 | ESR2 (0.51) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL26131060 | 0.78 | ESR2 (0.50) | ESR2NR1H2HDAC1DDB1CRBN | |
| SCHEMBL5664487 | 0.78 | NR1H2 (0.49) | ESR2NR1H2DDB1CRBNHPGD |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-8188139-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2012-05-29 | — | — | US | disclosed |
| EP-1848694-B1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | HOFFMANN LA ROCHE (CH) | 2009-11-25 | — | — | EP | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |
| US-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | JOLIDON SYNESE | 2009-08-13 | — | — | US | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| US-7557114-B2 | Heterocyclic-substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2009-07-07 | — | — | US | disclosed |
| EP-1848694-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F. Hoffmann-Roche AG (CH) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006082001-A1 | HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |
| US-20060178381-A1 | Heterocyclic-substituted phenyl methanones | HOFFMANN-LA ROCHE INC. | 2006-08-10 | — | — | 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 (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-20090203665-A1 | HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES | CYP2B6, CYP2D6, CYP1A2 | ESR2 1665/4885NR1H2 542/4885HDAC1 1995/4885 |
| US-20060178381-A1 | Heterocyclic-substituted phenyl methanones | CYP2B6, CYP2D6, CYP1A2 | ESR2 1665/4885NR1H2 542/4885HDAC1 1995/4885 |
“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.