Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | ATR | Q13535 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
| ▸ | SKP1 | P63208 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29882674 | 1.00 | NPC1 (0.39) | NPC1ALDH1A1L3MBTL1HTR4MEN1 | |
| SCHEMBL23580608 | 0.79 | CCR3 (0.36) | NPC1RAB9A | |
| SCHEMBL29882638 | 0.79 | CCR3 (0.36) | NPC1RAB9A | |
| SCHEMBL23608666 | 0.77 | KMT2A (0.34) | MEN1RAB9AKMT2ASMN1; SMN2EGLN1 | |
| SCHEMBL23580331 | 0.77 | L3MBTL3 (0.39) | ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL29882323 | 0.77 | L3MBTL3 (0.39) | ALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL23608500 | 0.74 | KMT2A (0.34) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL23581042 | 0.74 | HPGD (0.38) | — | |
| SCHEMBL23580207 | 0.74 | SMYD3 (0.45) | NPC1ALDH1A1MEN1RAB9AKMT2A | |
| SCHEMBL24364780 | 0.72 | ESR2 (0.36) | ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
| US-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRÖDINGER, INC. | 2024-01-18 | — | — | US | disclosed |
| EP-4081526-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | Schrödinger, Inc. (US) | 2022-11-02 | — | — | EP | disclosed |
| CN-114945571-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2022-08-26 | — | — | CN | disclosed |
| WO-2021134004-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRODINGER, INC. (US) | 2021-07-01 | — | — | WO | disclosed |
| WO-2021134004-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | SCHRODINGER, INC. (US) | 2021-07-01 | — | — | 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-20240018157-A1 | CYCLIC COMPOUNDS AND METHODS OF USING SAME | MALT1, FKBP1B, FKBP1A | NPC1 445/4885ALDH1A1 2190/4885L3MBTL1 4519/4885 |
“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.