Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.70 |
| ▸ | MYC | P01106 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 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 | |
|---|---|---|---|---|
| SCHEMBL7423258 | 0.91 | ESR1 (0.57) | ESR1ESR2MYCHDAC6HDAC8 | |
| SCHEMBL31670393 | 0.89 | ESR1 (0.67) | ESR1ESR2MYCHDAC6HDAC8 | |
| SCHEMBL4704441 | 0.87 | ESR1 (0.68) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL31670429 | 0.87 | ESR1 (0.68) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL5359582 | 0.85 | ESR1 (0.65) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL5418343 | 0.84 | ESR1 (0.61) | ESR1ESR2MYCHDAC6HDAC8 | |
| SCHEMBL1367533 | 0.84 | ESR1 (0.64) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL1367390 | 0.84 | ESR1 (0.64) | ESR1ESR2HDAC6HDAC8PKM | |
| SCHEMBL3292015 | 0.84 | ESR1 (0.64) | ESR1ESR2MYCHDAC6HDAC8 | |
| SCHEMBL28052395 | 0.83 | MYC (0.56) | ESR1ESR2MYCHDAC6HDAC8 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501803-B1 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| US-7268142-B2 | Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline | PFIZER INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-20070054925-A1 | Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION | 2007-03-08 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166614-B2 | Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-01-23 | — | — | 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-20070054925-A1 | Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors | CDK2, CDK1, CDKN1A | ESR1 1514/4885ESR2 2384/4885MYC 773/4885 |
“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.