SCHEMBL745706

SCHEMBL745706

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)OCC2=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAOB P27338 8/20 0.50
MAOA P21397 3/20 0.50
HSD17B10 Q99714 2/20 0.49
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA9 Q16790 4/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2C9 P11712 1/20 0.46
PREP P48147 3/20 0.45
KDM4E B2RXH2 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP3A4 P08684 1/20 0.38

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL19646242 0.85 CA12 (0.42) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL29853608 0.82 PREP (0.42) MAPTMEN1KMT2ACA12CA1
SCHEMBL26781090 0.82 PREP (0.42) MAPTMEN1KMT2ACA12CA1
SCHEMBL3139725 0.81 MAOB (0.53) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL1324057 0.79 MAOB (0.50) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL19197256 0.79 PREP (0.39) MAPTMEN1KMT2AMAOBHSD17B10
SCHEMBL16847177 0.78 MAPT (0.38) MAPTMEN1KMT2AMAOBHSD17B10
SCHEMBL68899 0.78 MAPT (0.59) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL31689707 0.78 MAPT (0.59) MAPTMEN1KMT2AMAOBMAOA
SCHEMBL10042955 0.76 CYP19A1 (0.58) CA12CA1CA9PREPCYP19A1

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 US disclosed
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF BAUSCH + LOMB IRELAND LIMITED (IE) 2023-10-19 US disclosed
US-20220073500-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF NOVARTIS PHARMACEUTICALS CORPORATION (US) 2022-03-10 US disclosed
US-11028077-B2 Crystalline pharmaceutical and methods of preparation and use thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-06-08 US disclosed
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-02-02 US disclosed
WO-2019076343-A1 PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海长森药业有限公司 2019-04-25 WO disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF SARCODE BIOSCIENCE INC. (US) 2018-05-03 US disclosed
US-9890141-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2018-02-13 US disclosed
US-9890141-B2 Crystalline pharmaceutical and methods of preparation and use thereof SARCODE BIOSCIENCE INC. (US) 2018-02-13 US disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 US disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 US disclosed
WO-2007136572-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007136573-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US disclosed
US-20030149079-A1 Novel benzofuran derivatives DAIICHI PHARMACEUTICAL CO., LTD. 2003-08-07 US disclosed
EP-1283208-A1 NOVEL BENZOFURAN DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 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 (7 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030149079-A1 Novel benzofuran derivatives CYP17A1, CYP21A2, HSD17B7 MAPT 2881/4885MEN1 2683/4885KMT2A 1790/4885
US-20070265332-A1 Antidiabetic bicyclic compounds GPR119, GPR65, FFAR4 MAPT 3890/4885MEN1 4694/4885KMT2A 2468/4885
US-11028077-B2 Crystalline pharmaceutical and methods of preparation and use thereof VCAM1, ICAM1, HLA-DRB1 MAPT 2847/4885MEN1 2506/4885KMT2A 4336/4885
US-20220073500-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 MAPT 2847/4885MEN1 2506/4885KMT2A 4336/4885
US-20230331711-A1 CRYSTALLINE PHARMACEUTICAL AND METHODS OF PREPARATION AND USE THEREOF VCAM1, ICAM1, HLA-DRB1 MAPT 2847/4885MEN1 2506/4885KMT2A 4336/4885
US-10906892-B2 LFA-1 inhibitor and methods of preparation and polymorph thereof ITGB1, ITGA1, VCAM1 MAPT 3468/4885MEN1 3219/4885KMT2A 3210/4885
US-20180118726-A1 LFA-1 INHIBITOR AND METHODS OF PREPARATION AND POLYMORPH THEREOF ITGB1, ITGA1, VCAM1 MAPT 3468/4885MEN1 3219/4885KMT2A 3210/4885

“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.