Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | FLT1 | P17948 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2159642 | 0.83 | CYP3A4 (0.41) | CYP3A4CYP2A6GAAFLT1FLT4 | |
| SCHEMBL15748687 | 0.80 | CYP3A4 (0.50) | CYP3A4NOX1CYP2A6POLBGAA | |
| SCHEMBL381504 | 0.74 | TDP1 (0.46) | CYP3A4CYP2A6TP53RAPGEF4SMN1; SMN2 | |
| SCHEMBL31556280 | 0.73 | — | — | |
| SCHEMBL91997 | 0.73 | — | — | |
| Bromide SCHEMBL11384376 | 0.72 | TDP1 (0.44) | CYP3A4CYP2A6TP53RAPGEF4SMN1; SMN2 | |
| SCHEMBL31325517 | 0.72 | TDP1 (0.44) | CYP3A4CYP2A6TP53RAPGEF4SMN1; SMN2 | |
| SCHEMBL9294360 | 0.72 | TDP1 (0.44) | CYP3A4CYP2A6TP53RAPGEF4SMN1; SMN2 | |
| SCHEMBL167920 | 0.70 | — | — | |
| SCHEMBL29719717 | 0.70 | NOTUM (0.53) | CYP3A4NOX1CYP2A6POLBGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10370393-B2 | Stereoretentive cross-coupling of boronic acids | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2019-08-06 | — | — | US | disclosed |
| US-20180305381-A1 | STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-10-25 | — | — | US | disclosed |
| WO-2012116977-A1 | PROCESS FOR THE PREPARATION OF 3-METHYLENE-γ-BUTYROLACTONE | DSM IP ASSETS B.V. (NL) | 2012-09-07 | — | — | WO | disclosed |
| EP-0841332-A1 | Method for preparing alpha-methylene-beta-methyl-gamma-butyrolactone and 4-hydroxy-butyric aldehyde as well as 2-hydroxa-3-methylene-4-methyltetrahydrofuran being valuable intermediates | Degussa Aktiengesellschaft (DE) | 1998-05-13 | — | — | 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-10370393-B2 | Stereoretentive cross-coupling of boronic acids | NBAS, CNKSR1, REL | CYP3A4 3574/4885NOX1 1243/4885CYP2A6 672/4885 |
| US-20180305381-A1 | STEREORETENTIVE CROSS-COUPLING OF BORONIC ACIDS | TACR1, TACR2, BRS3 | CYP3A4 2812/4885NOX1 4089/4885CYP2A6 1633/4885 |
“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.