Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14985998 | 0.85 | NPC1 (0.47) | ALDH1A1CHRM5NPC1RAB9ARELA | |
| SCHEMBL14985997 | 0.82 | ACHE (0.44) | ACHECA1CA2CA7CA9 | |
| SCHEMBL422395 | 0.81 | LPL (0.49) | ACHECA1CA2CA7CA9 | |
| SCHEMBL6826334 | 0.80 | ACHE (0.41) | ACHECA1CA2CA7CA9 | |
| SCHEMBL17421920 | 0.80 | ACHE (0.41) | ACHECA1CA2CA7CA9 | |
| SCHEMBL19417354 | 0.77 | SNCA (0.49) | ACHECA1CA2CA7CA9 | |
| SCHEMBL14985985 | 0.75 | KCNH2 (0.40) | ALDH1A1GAA | |
| 1,3-Dimethoxybenzene SCHEMBL9350 | 0.74 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| 1,3-Dimethoxybenzene SCHEMBL901285 | 0.74 | ACHE (0.70) | ACHECA1CA2CA7CA9 | |
| SCHEMBL7858694 | 0.73 | CA1 (0.55) | ACHECA1CA2CA7CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9556108-B2 | Process for preparing substituted phenylalkanes | MALLINCKRODT LLC (US) | 2017-01-31 | — | — | US | disclosed |
| US-9556108-B2 | Process for preparing substituted phenylalkanes | MALLINCKRODT LLC (US) | 2017-01-31 | — | — | US | disclosed |
| US-20160009635-A1 | PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES | MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY | 2016-01-14 | — | — | US | disclosed |
| WO-2016007823-A1 | PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES | MALLINCKRODT LLC (US) | 2016-01-14 | — | — | WO | disclosed |
| US-20160009635-A1 | PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES | MALLINCKRODT PHARMA IP TRADING UNLIMITED COMPANY | 2016-01-14 | — | — | US | disclosed |
| EP-0736509-B1 | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL CO (JP) | 2001-11-14 | — | — | EP | disclosed |
| US-6025531-A | REACTING A PROCHIRAL KETONE WITH A MIXTURE BORON-CONTAINING COMPOUNDS HAVING A BORANE REACTION PRODUCT FROM OPTICALLY ACTIVE BETA-AMINOALCOHOL AND A BORON HYDRIDE OR A METAL BOROHYDRIDE, AND AN OPTICALLY ACTIVE OXAZABOROLIDINE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-02-15 | — | — | US | disclosed |
| US-5801280-A | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-09-01 | — | — | US | disclosed |
| EP-0736509-A2 | Processes for preparing optically active alcohols and optically active amines | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-10-09 | — | — | 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 (1 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-20160009635-A1 | PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES | CYP2E1, CYP1B1, CYP4B1 | ACHE 219/4885CA1 3774/4885CA2 2374/4885 |
“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.