Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | SRD5A2 | P31213 | 12/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9623706 | 1.00 | ESR1 (0.44) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL10444899 | 1.00 | ESR1 (0.44) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL16387347 | 0.86 | ESR1 (0.59) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL7100236 | 0.83 | ESR1 (0.46) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL6899595 | 0.83 | ESR1 (0.46) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL6899597 | 0.83 | ESR1 (0.46) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL3750377 | 0.83 | SRD5A2 (0.39) | ESR1ARESR2SRD5A2CYP19A1 | |
| SCHEMBL8245517 | 0.82 | CYP19A1 (0.60) | SRD5A2CYP19A1 | |
| SCHEMBL5310190 | 0.82 | CYP19A1 (0.60) | SRD5A2CYP19A1 | |
| SCHEMBL1044379 | 0.82 | CYP19A1 (0.60) | SRD5A2CYP19A1 |
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-9296780-B2 | Process for alkynylating 16-substituted-17-keto steroids | CRYSTAL PHARMA, S.A.U. (ES) | 2016-03-29 | — | — | US | disclosed |
| EP-2794632-B1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA SAU (ES) | 2016-03-16 | — | — | EP | disclosed |
| US-20150005518-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA, S.A.U. (ES) | 2015-01-01 | — | — | US | disclosed |
| WO-2013092668-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | CRYSTAL PHARMA, S.A.U. (ES) | 2013-06-27 | — | — | 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 (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-20150005518-A1 | PROCESS FOR ALKYNYLATING 16-SUBSTITUTED-17-KETO STEROIDS | HSD17B7, NR3C2, CYP17A1 | ESR1 258/4885AR 47/4885ESR2 132/4885 |
“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.