Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CETP | P11597 | 2/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16969056 | 0.90 | MAOB (0.42) | ARALDH1A1CETPGAAL3MBTL1 | |
| SCHEMBL15534840 | 0.90 | MAPK1 (0.36) | ARALDH1A1RAB9ANPC1CETP | |
| SCHEMBL15548579 | 0.88 | KDM4E (0.38) | ARALDH1A1RAB9ANPC1EGFR | |
| SCHEMBL15535215 | 0.88 | NPC1 (0.49) | ALDH1A1RAB9ANPC1EGFRERBB2 | |
| SCHEMBL15535871 | 0.88 | KDM4E (0.35) | ARALDH1A1EGFRBRD4IMPDH2 | |
| SCHEMBL15534789 | 0.88 | KDM4E (0.43) | ARALDH1A1HTR2AGAAMAPT | |
| SCHEMBL15536337 | 0.87 | KDM4E (0.47) | ARALDH1A1RAB9ANPC1BRD4 | |
| SCHEMBL15535653 | 0.86 | AR (0.38) | ARALDH1A1RAB9ANPC1CETP | |
| SCHEMBL15535172 | 0.86 | ERN1 (0.41) | ARALDH1A1RAB9ANPC1EGFR | |
| SCHEMBL16969026 | 0.85 | ERN1 (0.43) | ARALDH1A1 |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220002232-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | ORION CORPORATION (FI) | 2022-01-06 | — | — | US | claimed |
| 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 |
| CN-113166042-A | Method for preparing 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile | 奥赖恩公司 | 2021-07-23 | — | — | CN | claimed |
| EP-3826989-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2021-06-02 | — | — | EP | claimed |
| CN-112533894-A | 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile solvate and crystalline form thereof | 奥赖恩公司 | 2021-03-19 | — | — | CN | claimed |
| WO-2020020969-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2020-01-30 | — | — | 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-20210347728-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | ORION CORPORATION (FI) | 2021-11-11 | — | — | US | disclosed |
| EP-3877360-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | Orion Corporation (FI) | 2021-09-15 | — | — | EP | disclosed |
| CN-113166042-A | Method for preparing 4, 5-dihydroxy-2- (4-methylbenzyl) isophthalonitrile | 奥赖恩公司 | 2021-07-23 | — | — | CN | disclosed |
| US-20190029990-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | ORION CORP (FI) | 2019-01-31 | — | — | 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 (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-20220002232-A1 | PROCESS FOR THE PREPARATION OF 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE | COMT, DDT, HPD | AR 3053/4885PDE3B 696/4885PDE3A 952/4885 |
| US-20170165219-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | AR 1837/4885PDE3B 317/4885PDE3A 271/4885 |
| US-20190029990-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | AR 1837/4885PDE3B 317/4885PDE3A 271/4885 |
| US-20210347728-A1 | 4,5-DIHYDROXY-2-(4-METHYLBENZYL)ISOPHTHALONITRILE SOLVATES AND CRYSTALLINE FORMS THEREOF | CASP4, HDHD5, CYP4B1 | AR 1169/4885PDE3B 2135/4885PDE3A 2672/4885 |
| US-20150218124-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | AR 1837/4885PDE3B 317/4885PDE3A 271/4885 |
| US-20220047540-A1 | CATECHOL O-METHYLTRANSFERASE ACTIVITY INHIBITING COMPOUNDS | COMT, PNMT, HNMT | AR 1837/4885PDE3B 317/4885PDE3A 271/4885 |
“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.