Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STAT3 | P40763 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA4 | P22748 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2548351 | 1.00 | STAT3 (0.43) | STAT3ALDH1A1CA1CA2CA4 | |
| SCHEMBL4621606 | 1.00 | STAT3 (0.43) | STAT3ALDH1A1CA1CA2CA4 | |
| Acetone SCHEMBL9451549 | 0.95 | STAT3 (0.43) | STAT3ALDH1A1CA1CA2CA4 | |
| Acetone SCHEMBL8766802 | 0.95 | STAT3 (0.43) | STAT3ALDH1A1CA1CA2CA4 | |
| Acetone SCHEMBL8568091 | 0.95 | STAT3 (0.43) | STAT3ALDH1A1CA1CA2CA4 | |
| SCHEMBL19067491 | 0.94 | STAT3 (0.39) | STAT3ALDH1A1CA1CA2CA4 | |
| SCHEMBL4343843 | 0.94 | CYP2D6 (0.47) | STAT3ALDH1A1CA1CA2CA4 | |
| SCHEMBL4335282 | 0.94 | CYP2D6 (0.47) | STAT3ALDH1A1CA1CA2CA4 | |
| SCHEMBL140992 | 0.91 | STAT3 (0.46) | STAT3ALDH1A1CA1CA2CA4 | |
| SCHEMBL5471045 | 0.87 | STAT3 (0.43) | STAT3ALDH1A1CA1CA2CA4 |
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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE35558-E | (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) | 1997-07-08 | — | — | US | claimed |
| US-5130427-A | Viricides formed by etherification, esterification and reaction with a phosphonate containing compound | CESKOSLOVENSKA AKADEMIE VED (CS) | 1992-07-14 | — | — | US | claimed |
| EP-0470809-A1 | Antiviral nucleosides, compounds useful in their preparation and processes of making them | Ceskoslovenska akademie ved (CS) | 1992-02-12 | — | — | EP | claimed |
| JP-5230087-A | — | — | None | — | — | JP | disclosed |
| WO-2022216945-A1 | MACROCYCLIC MCL1 INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-10-13 | — | — | WO | disclosed |
| US-20170362211-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | THE SCRIPPS RESEARCH INSTITUTE | 2017-12-21 | — | — | US | disclosed |
| US-20170362211-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | THE SCRIPPS RESEARCH INSTITUTE | 2017-12-21 | — | — | US | disclosed |
| US-9839636-B2 | Itraconazole analogues and methods of use thereof | UNIVERSITY OF CONNECTICUT (US) | 2017-12-12 | — | — | US | disclosed |
| US-9839636-B2 | Itraconazole analogues and methods of use thereof | UNIVERSITY OF CONNECTICUT (US) | 2017-12-12 | — | — | US | disclosed |
| US-20170209436-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-07-27 | — | — | US | disclosed |
| US-20170209436-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-07-27 | — | — | US | disclosed |
| US-4588824-A | (S)-GLYCEROL-1,2-ACETONIDE FROM 1,2:5,6-DI-O-ISOPROPYLIDENE-D-MANNITOL, LEAD TETRAACETATE, ALKALI BOROHYDRIDE | MERCK & CO., INC. (US) | 1986-05-13 | — | — | US | disclosed |
| EP-0157623-A2 | Optically active isomers of benzopyran derivatives useful for treating cardiovascular disease | KOWA COMPANY, LTD. (JP) | 1985-10-09 | — | — | EP | disclosed |
| US-4515977-A | Process for preparing optically active [S]-2-acetyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran and salts thereof | KAKEN PHARMACEUTICAL CO., LTD. (JP) | 1985-05-07 | — | — | US | disclosed |
| US-4408063-A | FROM A SULFONYLOXY HALOALCOHOL | MERCK & CO., INC. (US) | 1983-10-04 | — | — | US | disclosed |
| EP-0089037-A2 | Process for preparing optically active (S)-2-acetyl-7-(2-hydroxy-3-isopropylaminopropoxy)benzofuran and salts thereof | Kaken Pharmaceutical Co., Ltd. (JP) | 1983-09-21 | — | — | EP | disclosed |
| EP-0006615-B1 | PROCESS FOR PREPARING EPIHALOHYDRIN ENANTIOMERS | MERCK & CO. INC. (US) | 1983-03-02 | — | — | EP | disclosed |
| US-4346042-A | Preparation of epihalohydrin enantiomers | MERCK & CO., INC. (US) | 1982-08-24 | — | — | US | disclosed |
| EP-0009075-A1 | Pyridyloxy-propanol amines and esters thereof, process for preparing the same and pharmaceutical compositions containing them | MERCK & CO. INC. (US) | 1980-04-02 | — | — | EP | disclosed |
| EP-0006615-A1 | Process for preparing epihalohydrin enantiomers | MERCK & CO. INC. (US) | 1980-01-09 | — | — | EP | 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-20170362211-A1 | SMALL MOLECULE INHIBITORS OF FIBROSIS | MMP1, COL2A1, MMP8 | STAT3 192/4885ALDH1A1 1089/4885CA1 4876/4885 |
| US-20170209436-A1 | ITRACONAZOLE ANALOGUES AND METHODS OF USE THEREOF | GLI1, SHH, SMO | STAT3 53/4885ALDH1A1 1888/4885CA1 3527/4885 |
“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.