Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | THPO | P40225 | 1/20 | 0.48 |
| ▸ | STAT6 | P42226 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29120936 | 0.80 | ALDH1A1 (1.00) | CYP1A2ALDH1A1POLBACHETSHR | |
| SCHEMBL30632945 | 0.80 | ALDH1A1 (1.00) | CYP1A2ALDH1A1POLBACHETSHR | |
| SCHEMBL9584702 | 0.76 | ACHE (0.82) | CYP1A2ALDH1A1POLBACHELMNA | |
| SCHEMBL28063855 | 0.74 | POLB (0.56) | CYP1A2ALDH1A1POLBLMNATSHR | |
| SCHEMBL1408391 | 0.72 | POLB (1.00) | ALDH1A1POLBACHELMNATSHR | |
| SCHEMBL28042946 | 0.69 | CYP1A2 (0.79) | CYP1A2ALDH1A1POLBLMNATSHR | |
| SCHEMBL10286526 | 0.69 | ACHE (0.65) | CYP1A2ALDH1A1POLBACHELMNA | |
| SCHEMBL11842844 | 0.69 | POLB (0.53) | CYP1A2ALDH1A1POLBACHETSHR | |
| SCHEMBL9215322 | 0.68 | ACHE (1.00) | CYP1A2ALDH1A1ACHELMNATSHR | |
| SCHEMBL10287056 | 0.68 | POLB (0.51) | ALDH1A1POLBACHEBLMMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11186563-B2 | Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation | THE SCRIPPS RESEARCH INSTITUTE (US) | 2021-11-30 | — | — | US | disclosed |
| US-20190315710-A1 | Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation | THE SCRIPPS RESEARCH INSTITUTE | 2019-10-17 | — | — | US | disclosed |
| WO-2017165304-A2 | Pd(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(sp3)-H BOND ACTIVATION | THE SCRIPPS RESEARCH INSTITUTE (US) | 2017-09-28 | — | — | 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 (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-20190315710-A1 | Pd(II)-catalyzed Enantioselective Beta-Methylene C(sp3)–H Bond Activation | POLQ, AP3D1, AP3S1 | CYP1A2 1513/4885ALDH1A1 574/4885POLB 699/4885 |
| US-11186563-B2 | Pd(II)-catalyzed enantioselective β-methylene C(sp3)—H bond activation | POLQ, AP3D1, AP3S1 | CYP1A2 1559/4885ALDH1A1 590/4885POLB 712/4885 |
“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.