Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6779593 | 0.87 | ALDH1A1 (0.49) | CES2CES1POLBMAPTNPC1 | |
| SCHEMBL2936991 | 0.87 | CA12 (0.37) | MAPTMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL6695151 | 0.87 | ALDH1A1 (0.36) | MAPTKMT2AALDH1A1CYP1A2NPSR1 | |
| SCHEMBL6781754 | 0.86 | ALDH1A1 (0.37) | MAPTNPC1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL2935375 | 0.85 | LMNA (0.36) | POLBMAPTNPC1RAB9AMEN1 | |
| SCHEMBL6700604 | 0.85 | MAPT (0.41) | POLBMAPTNPC1RAB9AKMT2A | |
| SCHEMBL2936904 | 0.82 | LMNA (0.40) | POLBMAPTMEN1KMT2ACYP3A4 | |
| SCHEMBL2099038 | 0.82 | ALDH1A1 (0.42) | CES2CES1MAPTRAB9AMEN1 | |
| SCHEMBL12134361 | 0.81 | LMNA (0.61) | POLBMAPTNPC1RAB9AMEN1 | |
| SCHEMBL6201289 | 0.80 | ALDH1A1 (0.61) | CES2CES1POLBMAPTNPC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8163770-B2 | Benzoxathiin derivative | MSD. K. K. (JP) | 2012-04-24 | — | — | US | disclosed |
| US-20100168156-A1 | Novel Benzoxathiine Derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-07-01 | — | — | US | disclosed |
| EP-1944301-A1 | NOVEL BENZOXATHIIN DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-07-16 | — | — | EP | disclosed |
| US-6750213-B2 | BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS | MERCK & CO., INC. | 2004-06-15 | — | — | US | disclosed |
| US-20030225132-A1 | Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders | DININNO FRANK P (US) | 2003-12-04 | — | — | US | disclosed |
| WO-2003086388-A1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003087073-A1 | ESTROGEN RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| US-20020165226-A1 | Estrogen receptor modulators | MERCK & CO., INC. | 2002-11-07 | — | — | US | 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 (3 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-20100168156-A1 | Novel Benzoxathiine Derivative | XDH, GPR119, BRIX1 | CES2 2002/4885CES1 774/4885POLB 4459/4885 |
| US-20020165226-A1 | Estrogen receptor modulators | ESRRA, GPER1, ESRRB | CES2 2801/4885CES1 330/4885POLB 4007/4885 |
| US-20030225132-A1 | Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders | GPER1, ESR2, ESR1 | CES2 2400/4885CES1 535/4885POLB 4334/4885 |
“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.