Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.61 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TGM2 | P21980 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2554642 | 0.84 | GSK3B (0.62) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL5099884 | 0.79 | CES1 (0.61) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL8024787 | 0.79 | GSK3B (0.67) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL27694666 | 0.79 | TSHR (0.49) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL2298238 | 0.79 | MAPT (0.54) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL240086 | 0.79 | GSK3B (0.71) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL11510574 | 0.79 | GSK3B (0.71) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL28552870 | 0.78 | CES1 (0.46) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL21782374 | 0.78 | GSK3B (0.56) | GSK3BCES1CA1CA2TDP1 | |
| SCHEMBL28552872 | 0.78 | CES1 (0.46) | GSK3BCES1CA1CA2TDP1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0269041-B1 | FUNGICIDAL CYCLOHEXYLAMINES | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | claimed |
| US-4751304-A | Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1988-06-14 | — | — | US | claimed |
| EP-0177256-A2 | Process for preparing 5,6-dialkoxy-4-alkyl-2(1h)-quinazolinones | ORTHO PHARMACEUTICAL CORPORATION (US) | 1986-04-09 | — | — | EP | claimed |
| JP-6092912-A | — | — | None | — | — | JP | disclosed |
| CN-115710281-B | Isoxazolo [5,4-b ] pyridine FLT3 inhibitor and preparation method and application thereof | 南京中医药大学 | 2024-05-17 | — | — | CN | disclosed |
| CN-102105435-B | 5-isopropyl-3-aminomethyl-2-methyl-1-amino-cyclohexane (carvone diamine), and method for the production thereof | BASF SE | 2014-07-23 | — | — | CN | disclosed |
| US-8586794-B2 | 5-isopropyl-3-aminomethyl-2-methyl-1-amino-cyclohexane (carvone diamine), and method for the production thereof | BASF SE (DE) | 2013-11-19 | — | — | US | disclosed |
| CN-102105434-A | 3-aminomethyl-1-cyclohexylamine, and method for the production thereof | BASF SE | 2011-06-22 | — | — | CN | disclosed |
| CN-102105435-A | 5-isopropyl-3-aminomethyl-2-methyl-1-amino-cyclohexane (carvone diamine), and method for the production thereof | BASF SE | 2011-06-22 | — | — | CN | disclosed |
| US-20110124918-A1 | 5-ISOPROPYL-3-AMINOMETHYL-2-METHYL-1-AMINO-CYCLOHEXANE (CARVONE DIAMINE), AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2011-05-26 | — | — | US | disclosed |
| US-20110124919-A1 | 3-AMINOMETHYL-1-CYCLOHEXYLAMINE, AND METHOD FOR THE PRODUCTION THEREOF | BASF SE (DE) | 2011-05-26 | — | — | US | disclosed |
| US-5336749-A | Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-08-09 | — | — | US | disclosed |
| JP-H0692912-A | PRODUCTION OF DIAMINES | MITSUI TOATSU CHEM INC | 1994-04-05 | — | — | JP | disclosed |
| EP-0394058-B1 | ALICYCLIC DIAMINES, ALICYCLIC DIISOCYANATES AND POLYISOCYANATO-ISOCYANURATES AND METHOD FOR THE PREPARATION THEREOF | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-08-25 | — | — | EP | disclosed |
| US-5210286-A | Hydrogenation of corresponding aromatic compound, reaction with phosgene | MITSUI TOATSU CHEMICALS, INC. (JP) | 1993-05-11 | — | — | US | disclosed |
| US-5126426-A | Catalytic hydrogenation of aromatic diamine | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-06-30 | — | — | US | disclosed |
| EP-0394058-A1 | Alicyclic diamines, alicyclic diisocyanates and polyisocyanato-isocyanurates and method for the preparation thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-10-24 | — | — | 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-20110124919-A1 | 3-AMINOMETHYL-1-CYCLOHEXYLAMINE, AND METHOD FOR THE PRODUCTION THEREOF | PNMT, CBR3, ALKBH3 | GSK3B 4271/4885CES1 2183/4885CA1 1518/4885 |
| US-20110124918-A1 | 5-ISOPROPYL-3-AMINOMETHYL-2-METHYL-1-AMINO-CYCLOHEXANE (CARVONE DIAMINE), AND METHOD FOR THE PRODUCTION THEREOF | CARM1, PNMT, CPNE4 | GSK3B 4791/4885CES1 3416/4885CA1 987/4885 |
“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.