SCHEMBL366006

SCHEMBL366006

COc1ccc(B(O)OC(C)(C)C(C)(C)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
ENPP2 Q13822 2/20 0.52
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
AOC3 Q16853 1/20 0.36
ELANE P08246 1/20 0.35
ACHE P22303 1/20 0.34
LTA4H P09960 1/20 0.34
ESR2 Q92731 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34

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
SCHEMBL6607430 0.85 ENPP2 (0.41) CA1CA2ENPP2
SCHEMBL2300859 0.83 ENPP2 (0.57) CA1CA2ENPP2CA7CA9
SCHEMBL119711 0.83 TRPV6 (0.39) CA1CA2ENPP2CA7CA14
SCHEMBL19433226 0.83 CA2 (0.42) CA1CA2ENPP2CA7CA14
SCHEMBL1983047 0.82 ALDH1A1 (0.39) CA1CA2ENPP2
SCHEMBL1181137 0.81 ENPP2 (0.41) CA1CA2ENPP2CA9CA12
SCHEMBL3681691 0.81 CA2 (0.45) CA1CA2ACHETDP1
SCHEMBL16752320 0.81 CA1 (0.53) CA1CA2CA9LTA4HPDK1
SCHEMBL9893560 0.80 LMNA (0.44) ELANE
SCHEMBL9903022 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836086-B Multifunctional AIE optical diagnosis and treatment molecule, azide compound thereof, synthesis method and application 华中科技大学同济医学院附属同济医院 2025-06-24 CN claimed
CN-118908830-A Amphiphilic compound containing anthracene group, film and application thereof 华东理工大学 2024-11-08 CN claimed
CN-118561818-A Diaryl substituted 2, 3-indoline compound or medicinal salt thereof, preparation method and application thereof 河南大学 2024-08-30 CN claimed
CN-116836086-A Multifunctional AIE optical diagnosis and treatment molecule, azide compound thereof, synthesis method and application 华中科技大学同济医学院附属同济医院 2023-10-03 CN claimed
CN-107176948-B The preparation of pimobendan 海门慧聚药业有限公司 2019-07-16 CN claimed
US-20260014125-A1 BICYCLIC-TYPE MAT2A INHIBITOR AND USE THEREOF HAIHE BIOPHARMA CO LTD (CN) 2026-01-15 US disclosed
US-20250333412-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI SA (FR) 2025-10-30 US disclosed
US-20250221144-A1 STRETCHABLE LIGHT-EMITTING POLYMERS THE UNIVERSITY OF CHICAGO 2025-07-03 US disclosed
CN-120202193-A Chiral photosensitive molecular switch, cholesteric liquid crystal composition, display panel and preparation method of chiral photosensitive molecular switch and cholesteric liquid crystal composition 京东方科技集团股份有限公司 2025-06-24 CN disclosed
CN-116836086-B Multifunctional AIE optical diagnosis and treatment molecule, azide compound thereof, synthesis method and application 华中科技大学同济医学院附属同济医院 2025-06-24 CN disclosed
EP-4556475-A1 BICYCLIC-TYPE MAT2A INHIBITOR AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2025-05-21 EP disclosed
WO-2025086039-A1 CHIRAL PHOTOSENSITIVE MOLECULAR SWITCH, CHOLESTERIC LIQUID CRYSTAL COMPOSITION, AND DISPLAY PANEL AND PREPARATION METHOD THEREFOR 京东方科技集团股份有限公司 2025-05-01 WO disclosed
WO-2012173572-A1 STEREOSELECTIVE SYNTHESIS OF HIGHLY SUBSTITUTED ENAMIDES NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-12-20 WO disclosed
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
WO-2012009698-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS ABBOTT LABORATORIES (US) 2012-01-19 WO disclosed
US-20110152523-A1 CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME KYOTO UNIVERSITY (JP) 2011-06-23 US disclosed
WO-2010030727-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH LLC (US) 2010-03-18 WO disclosed
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
WO-2009155052-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-23 WO disclosed
US-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-03 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 (6 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-20090298820-A1 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3C2B CA1 3007/4885CA2 768/4885ENPP2 4391/4885
US-20260014125-A1 BICYCLIC-TYPE MAT2A INHIBITOR AND USE THEREOF MAT2A, MNAT1, MAT1A CA1 2056/4885CA2 1252/4885ENPP2 2474/4885
US-20110152523-A1 CATALYST FOR CROSS-COUPLING REACTION, AND PROCESS FOR PRODUCTION OF AROMATIC COMPOUND USING THE SAME AHR, AR, HRH2 CA1 1372/4885CA2 85/4885ENPP2 423/4885
US-20250333412-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS COL2A1, IDO1, COL1A1 CA1 4221/4885CA2 2465/4885ENPP2 1135/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR CA1 2715/4885CA2 835/4885ENPP2 4336/4885
US-20120022252-A1 PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS PHOSPHO1, PPIP5K2, ITPA CA1 1227/4885CA2 2096/4885ENPP2 163/4885

“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.