Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 11/20 | 0.62 |
| ▸ | DAO | P14920 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 2/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762587 | 0.85 | CES1 (0.53) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL17265675 | 0.84 | CES1 (0.47) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL5323338 | 0.84 | CES1 (0.71) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| Hydrochloric Acid SCHEMBL6527990 | 0.82 | CES1 (0.69) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL31483785 | 0.77 | CES1 (0.62) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL3334809 | 0.77 | CES1 (0.62) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL950949 | 0.77 | CES1 (1.00) | CES1DAOBCHEPOLBNSD2 | |
| SCHEMBL31528208 | 0.77 | CES1 (0.71) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL31728064 | 0.77 | CES1 (0.41) | CES1DAOALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL29444533 | 0.77 | CES1 (0.41) | CES1DAOALDH1A1ALDH2ALDH3A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100503567-C | Method for preparing-4-bromine-7-methyl isatin | SHANGHAI INST OF CHEMICAL REAG (CN) | 2009-06-24 | — | — | CN | claimed |
| CN-1626514-A | Method for preparing-4-bromine-7-methyl isatin | SHANGHAI INST OF CHEMICAL REAG (CN) | 2005-06-15 | — | — | CN | claimed |
| CN-100503567-C | Method for preparing-4-bromine-7-methyl isatin | SHANGHAI INST OF CHEMICAL REAG (CN) | 2009-06-24 | — | — | CN | disclosed |
| CN-100503567-C | Method for preparing-4-bromine-7-methyl isatin | SHANGHAI INST OF CHEMICAL REAG (CN) | 2009-06-24 | — | — | CN | disclosed |
| EP-1786772-A1 | PROCESS FOR THE SCALABLE SYNTHESIS OF 1, 3, 4, 9-TETRAHYDROPYRANOÝ3, 4-B¨-INDOLE DERIVATIVES | Wyeth a Corporation of the State of Delaware (US) | 2007-05-23 | — | — | EP | disclosed |
| WO-2006119104-A2 | PROCESS FOR PREPARING ISATINS WITH CONTROL OF SIDE-PRODUCT FORMATION | WYETH (US) | 2006-11-09 | — | — | WO | disclosed |
| US-20060247442-A1 | Process for preparing isatins with control of side-product formation | WYETH (US) | 2006-11-02 | — | — | US | disclosed |
| WO-2006031770-A1 | PROCESS FOR THE SCALABLE SYNTHESIS OF 1, 3, 4, 9-TETRAHYDROPYRANO[3, 4-B]-INDOLE DERIVATIVES | WYETH (US) | 2006-03-23 | — | — | WO | disclosed |
| US-20060058532-A1 | Process for the scalable synthesis of 1,3,4,9-tetrahydropyrano[3,4-b]-indole derivatives | WYETH | 2006-03-16 | — | — | US | disclosed |
| CN-1626514-A | Method for preparing-4-bromine-7-methyl isatin | SHANGHAI INST OF CHEMICAL REAG (CN) | 2005-06-15 | — | — | CN | disclosed |
| CN-1626514-A | Method for preparing-4-bromine-7-methyl isatin | SHANGHAI INST OF CHEMICAL REAG (CN) | 2005-06-15 | — | — | CN | 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-20060058532-A1 | Process for the scalable synthesis of 1,3,4,9-tetrahydropyrano[3,4-b]-indole derivatives | IDO1, CYP4B1, CYP2C9 | CES1 2913/4885DAO 448/4885ALDH1A1 665/4885 |
| US-20060247442-A1 | Process for preparing isatins with control of side-product formation | NISCH, HASPIN, INMT | CES1 453/4885DAO 86/4885ALDH1A1 1259/4885 |
“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.