Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.74 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | MAPT | P10636 | 2/20 | 0.73 |
| ▸ | RECQL | P46063 | 1/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.73 |
| ▸ | STS | P08842 | 10/20 | 0.71 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.71 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.70 |
| ▸ | CA1 | P00915 | 3/20 | 0.68 |
| ▸ | CA2 | P00918 | 3/20 | 0.68 |
| ▸ | CA9 | Q16790 | 3/20 | 0.68 |
| ▸ | ESR1 | P03372 | 2/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.68 |
| ▸ | CA4 | P22748 | 1/20 | 0.68 |
| ▸ | CA6 | P23280 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL27592877 | 0.91 | CYP3A4 (0.72) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| Estrone Acetate SCHEMBL603954 | 0.89 | CYP3A4 (0.76) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| SCHEMBL1977541 | 0.89 | CYP3A4 (0.80) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| Estrone Acetate SCHEMBL20006536 | 0.89 | CYP3A4 (0.76) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| Estrone Acetate SCHEMBL6241050 | 0.89 | CYP3A4 (0.76) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| SCHEMBL12216745 | 0.88 | CYP3A4 (0.75) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| SCHEMBL9790047 | 0.88 | CYP3A4 (0.74) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| SCHEMBL7992527 | 0.87 | CYP3A4 (0.72) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| SCHEMBL26659868 | 0.86 | CYP3A4 (0.75) | CYP3A4HSD17B1LMNAMAPTRECQL | |
| SCHEMBL10013342 | 0.86 | HSD17B1 (0.78) | CYP3A4HSD17B1LMNAMAPTRECQL |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230279170-A1 | CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2023-09-07 | — | — | US | claimed |
| US-20230279170-A1 | CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2023-09-07 | — | — | US | disclosed |
| US-20220204447-A1 | CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS | NATIONAL SCIENCE FOUNDATION | 2022-06-30 | — | — | US | disclosed |
| US-10961266-B2 | Chemoselective methylene hydroxylation in aromatic molecules | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2021-03-30 | — | — | US | disclosed |
| US-10772878-B2 | Demethylpenclomedine analogs and their use as anti-cancer agents | DEKK-TEC, INC. (US) | 2020-09-15 | — | — | US | disclosed |
| WO-2020163295-A1 | CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2020-08-13 | — | — | WO | disclosed |
| US-20200087331-A1 | CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2020-03-19 | — | — | US | disclosed |
| US-9422241-B2 | Demethylpenclomedine analogs and their use as anti-cancer agents | DEKK-TEC, INC. (US) | 2016-08-23 | — | — | US | disclosed |
| US-20160074853-A1 | LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX | NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) | 2016-03-17 | — | — | US | disclosed |
| US-20120177634-A1 | DEMETHYLPENCLOMEDINE ANALOGS AND THEIR USE AS ANTI-CANCER AGENTS | DEKK-TEC, INC. | 2012-07-12 | — | — | US | disclosed |
| US-6274118-B1 | INJECTING PATIENT HAVING ENDOCRINE CANCER IN NON-PROSTATIC TISSUE WITH BIOLOGICAL BINDING UNITS WHICH BIND TO PROSTATE SPECIFIC ANTIGEN PRODUCED BY NON-PROSTATIC TISSUE | NORDION INTERNATIONAL INC. (CA) | 2001-08-14 | — | — | US | disclosed |
| WO-1995002424-A1 | LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN | NORDION INTERNATIONAL INC. (CA) | 1995-01-26 | — | — | 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 (6 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-20160074853-A1 | LIGAND, NICKEL COMPLEX COMPRISING THE LIGAND, AND REACTION USING THE NICKEL COMPLEX | NISCH, DDT, TEC | CYP3A4 902/4885HSD17B1 2577/4885LMNA 4621/4885 |
| US-20220204447-A1 | CHIRAL-SUBSTITUTED POLY-N-VINYLPYRROLIDINONES AND COMPLEXES WITH BIMETALLIC NANOCLUSTERS AND USES THEREOF IN ASYMMETRIC OXIDATION REACTIONS | DHPS, PCBP1, PNKP | CYP3A4 24/4885HSD17B1 849/4885LMNA 3416/4885 |
| US-10961266-B2 | Chemoselective methylene hydroxylation in aromatic molecules | PAH, DBH, AHR | CYP3A4 29/4885HSD17B1 1517/4885LMNA 4444/4885 |
| US-20200087331-A1 | CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES | PAH, DBH, AHR | CYP3A4 29/4885HSD17B1 1517/4885LMNA 4444/4885 |
| US-10772878-B2 | Demethylpenclomedine analogs and their use as anti-cancer agents | MCL1, DNMT1, MYC | CYP3A4 3548/4885HSD17B1 2345/4885LMNA 1636/4885 |
| US-20120177634-A1 | DEMETHYLPENCLOMEDINE ANALOGS AND THEIR USE AS ANTI-CANCER AGENTS | MCL1, DNMT1, MYC | CYP3A4 3548/4885HSD17B1 2345/4885LMNA 1636/4885 |
“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.