Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | KCNN4 | O15554 | 7/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29559623 | 1.00 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL29282850 | 1.00 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL28778133 | 1.00 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL45520 | 0.97 | CYP1A2 (0.56) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL7880822 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL11522471 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| Phosphine SCHEMBL28066837 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL10403424 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL10909643 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL30541207 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT |
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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118496244-A | Rhodium catalyzed C-H cyclization construction of pyridophenothiazine/oxa/selenazinium salt organic single molecule white light material | 重庆大学 | 2024-08-16 | — | — | CN | claimed |
| CN-114195820-B | Isoserine derivative, preparation thereof and application thereof in taxol synthesis | 中山大学 | 2023-11-10 | — | — | CN | claimed |
| CN-116283534-A | Multifunctional chiral eneyne ligand and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-114195820-A | Isoserine derivative, preparation thereof and application thereof in synthesis of paclitaxel | 中山大学 | 2022-03-18 | — | — | CN | claimed |
| US-20240389593-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2024-11-28 | — | — | US | disclosed |
| CN-118496244-A | Rhodium catalyzed C-H cyclization construction of pyridophenothiazine/oxa/selenazinium salt organic single molecule white light material | 重庆大学 | 2024-08-16 | — | — | CN | disclosed |
| EP-4317160-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | Kumiai Chemical Industry Co., Ltd. (JP) | 2024-02-07 | — | — | EP | disclosed |
| CN-114195820-B | Isoserine derivative, preparation thereof and application thereof in taxol synthesis | 中山大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-116283534-A | Multifunctional chiral eneyne ligand and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-114195820-A | Isoserine derivative, preparation thereof and application thereof in synthesis of paclitaxel | 中山大学 | 2022-03-18 | — | — | CN | disclosed |
| CN-101506142-B | Process for production of trans-2,2-dimethyl- 3-formylcyclopropane carboxylic acid ester | SUMITOMO CO LTD | 2013-04-17 | — | — | CN | disclosed |
| EP-1950208-B1 | PROCESS FOR PRODUCING 6,6-DIMETHYL-3-OXABICYCLO[3.1.0]HEXAN-2-ONE | SUMITOMO CHEMICAL CO (JP) | 2012-05-02 | — | — | EP | disclosed |
| US-7186709-B2 | Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2007-03-06 | — | — | US | disclosed |
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-20040214232-A1 | Generation of skeletal diversity within a combinatorial library | HOWARD HUGHES MEDICAL INSTITUTE | 2004-10-28 | — | — | US | disclosed |
| US-20040059138-A1 | Dihydropyrancarboxamides and uses thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2004-03-25 | — | — | US | disclosed |
| US-20040014168-A1 | Reagents and methods for library synthesis and screening | HOWARD HUGHES MEDICAL INSTITUTE | 2004-01-22 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | 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 (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-20040059138-A1 | Dihydropyrancarboxamides and uses thereof | CCNA1, DPYD, DHFR | CYP1A2 635/4885KCNN4 4127/4885NPSR1 1566/4885 |
| US-20240389593-A1 | HETEROCYCLIC COMPOUND AND USE THEREOF | C1S, C3AR1, CBR3 | CYP1A2 300/4885KCNN4 559/4885NPSR1 447/4885 |
“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.