Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 3/20 | 0.44 |
| ▸ | TNKS | O95271 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | GPR3 | P46089 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.44 |
| ▸ | PDE9A | O76083 | 1/20 | 0.43 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL20227596 | 0.78 | PARP1 (0.49) | KDM4EALDH1A1PARP1TNKSLMNA | |
| SCHEMBL460847 | 0.77 | KDM4E (0.57) | KDM4EALDH1A1PARP1TNKSLMNA | |
| SCHEMBL500585 | 0.76 | PARP1 (0.49) | KDM4EALDH1A1PARP1TNKSLMNA | |
| SCHEMBL23668299 | 0.75 | CDK4 (0.47) | ALDH1A1HSD17B10GPR3PDE9ACDK4 | |
| SCHEMBL30721419 | 0.75 | CDK4 (0.47) | ALDH1A1HSD17B10GPR3PDE9ACDK4 | |
| SCHEMBL4444811 | 0.73 | ALDH1A1 (0.56) | KDM4EALDH1A1HSD17B10CYP1A2CA12 | |
| SCHEMBL8586869 | 0.72 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP1A2HPGDMAPK1 | |
| SCHEMBL28469329 | 0.72 | CDK4 (0.51) | ALDH1A1HSD17B10CYP1A2CDK4CCND1 | |
| SCHEMBL28465176 | 0.71 | CDK4 (0.50) | CDK4CCND1CCNB2CCNE2CDK1 | |
| SCHEMBL18429999 | 0.71 | AHR (0.52) | KDM4EALDH1A1PARP1HSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-11713319-B2 | Compounds having valerolactam structures | MERCK PATENT GMBH (DE) | 2023-08-01 | — | — | US | disclosed |
| US-11713319-B2 | Compounds having valerolactam structures | MERCK PATENT GMBH (DE) | 2023-08-01 | — | — | US | disclosed |
| EP-3548467-B1 | COMPOUNDS HAVING VALEROLACTAM STRUCTURES | MERCK PATENT GMBH (DE) | 2023-06-21 | — | — | EP | disclosed |
| US-20200031827-A1 | COMPOUNDS HAVING VALEROLACTAM STRUCTURES | MERCK PATENT GMBH (DE) | 2020-01-30 | — | — | US | disclosed |
| WO-2018099846-A1 | COMPOUNDS HAVING VALEROLACTAM STRUCTURES | MERCK PATENT GMBH (DE) | 2018-06-07 | — | — | 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 (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-11713319-B2 | Compounds having valerolactam structures | ACE, CYP3A4, CYP2D6 | KDM4E 587/4885ALDH1A1 165/4885PARP1 340/4885 |
| US-20200031827-A1 | COMPOUNDS HAVING VALEROLACTAM STRUCTURES | ACE, CYP3A4, CYP2D6 | KDM4E 587/4885ALDH1A1 165/4885PARP1 340/4885 |
“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.