Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15535373 | 0.88 | SNCA (0.41) | PDE3BPDE3ASNCAKDM4EALDH1A1 | |
| SCHEMBL15535010 | 0.88 | SNCA (0.43) | SNCAKDM4EALDH1A1GAAALOX15 | |
| SCHEMBL15534742 | 0.87 | SNCA (0.36) | PDE3BPDE3ASNCAKDM4EESR1 | |
| SCHEMBL15535245 | 0.87 | SNCA (0.42) | PDE3BPDE3ASNCAKDM4EALDH1A1 | |
| SCHEMBL15535622 | 0.85 | SNCA (0.41) | SNCAKDM4EALDH1A1NPSR1FFAR1 | |
| SCHEMBL15535361 | 0.85 | SNCA (0.41) | SNCAALDH1A1MAPTIGF1RALOX15 | |
| SCHEMBL15535340 | 0.85 | BCL2 (0.41) | SNCAKDM4EALDH1A1GAAMAPT | |
| SCHEMBL15535478 | 0.85 | SNCA (0.38) | SNCAKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL15535563 | 0.85 | KDM4E (0.50) | SNCAKDM4EALDH1A1MAPTNPSR1 | |
| SCHEMBL15536640 | 0.83 | SNCA (0.40) | SNCAKDM4EALDH1A1GAAESR1 |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210347728-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2021-11-11 | — | — | US | claimed |
| EP-3877360-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | Orion Corporation (FI) | 2021-09-15 | — | — | EP | claimed |
| EP-3826989-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2021-06-02 | — | — | EP | claimed |
| WO-2020020969-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2020-01-30 | — | — | WO | claimed |
| EP-2855426-B1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-01-04 | — | — | EP | claimed |
| US-9458128-B2 | Catechol O-methyltransferase activity inhibiting compounds | ORION CORPORATION (FI) | 2016-10-04 | — | — | US | claimed |
| US-20150218124-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2015-08-06 | — | — | US | claimed |
| EP-2855426-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | Orion Corporation (FI) | 2015-04-08 | — | — | EP | claimed |
| WO-2013175053-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2013-11-28 | — | — | WO | claimed |
| US-20220047540-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2022-02-17 | — | — | US | disclosed |
| US-20220002232-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | ORION CORPORATION (FI) | 2022-01-06 | — | — | US | disclosed |
| US-20220002232-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | ORION CORPORATION (FI) | 2022-01-06 | — | — | US | disclosed |
| US-20220002232-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | ORION CORPORATION (FI) | 2022-01-06 | — | — | US | disclosed |
| US-20210347728-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2021-11-11 | — | — | US | disclosed |
| US-20170165219-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-06-15 | — | — | US | disclosed |
| EP-2855426-B1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2017-01-04 | — | — | EP | disclosed |
| US-9458128-B2 | Catechol O-methyltransferase activity inhibiting compounds | ORION CORPORATION (FI) | 2016-10-04 | — | — | US | disclosed |
| US-20150218124-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2015-08-06 | — | — | US | disclosed |
| EP-2855426-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | Orion Corporation (FI) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013175053-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORPORATION (FI) | 2013-11-28 | — | — | 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 (5 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-20220002232-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | COMT, DDT, HPD | PDE3B 696/4885PDE3A 952/4885SNCA 822/4885 |
| US-20170165219-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PDE3B 317/4885PDE3A 271/4885SNCA 2196/4885 |
| US-20210347728-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | CASP4, HDHD5, CYP4B1 | PDE3B 2135/4885PDE3A 2672/4885SNCA 2014/4885 |
| US-20150218124-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PDE3B 317/4885PDE3A 271/4885SNCA 2196/4885 |
| US-20220047540-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | PDE3B 317/4885PDE3A 271/4885SNCA 2196/4885 |
“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.