Scopolin

Scopolin

SCHEMBL1674804

COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 1.00
▸ CA9 Q16790 5/20 1.00
▸ CA1 P00915 4/20 1.00
▸ CA7 P43166 2/20 1.00
▸ CA13 Q8N1Q1 2/20 1.00
▸ ALDH1A1 P00352 6/20 0.80
▸ HPGD P15428 5/20 0.80
▸ KDM4E B2RXH2 4/20 0.80
▸ CASP1 P29466 4/20 0.80
▸ CASP7 P55210 4/20 0.80
▸ HSD17B10 Q99714 4/20 0.80
▸ GAA P10253 3/20 0.78
▸ GLA P06280 2/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ AMY1A P0DUB6 1/20 0.78
▸ STAT6 P42226 1/20 0.78
▸ L3MBTL1 Q9Y468 2/20 0.77
▸ DNMT1 P26358 1/20 0.77

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
SCHEMBL17838079 1.00 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL6260522 1.00 CA12 (1.00) CA12CA9CA1CA7CA13
Scopolin SCHEMBL14296928 1.00 CA12 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL9754358 0.90 HPGD (0.88) CA12CA9CA1CA7CA13
SCHEMBL15745927 0.89 CA12 (0.80) CA12CA9CA1CA7CA13
Daphnorin SCHEMBL30616024 0.87 TDP1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL2893 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL19756246 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL8183298 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13
Esculin SCHEMBL8035285 0.87 ALDH1A1 (1.00) CA12CA9CA1CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047822-A Compound extracted from elm bark, and preparation method and application thereof 延边大学 2024-05-17 — — CN claimed
WO-2023106884-A1 COMPOSITION INCLUDING ARTEMISIA CAPILLARIS AND BAMBOO SHOOT EXTRACT FOR PREVENTION OR TREATMENT OF BOWEL DISEASE 재단법인 홍천메디칼허브연구소 2023-06-15 — — WO claimed
WO-2023066901-A1 PLANT-TAG-BASED WEEDING CONTROL KWS SAAT SE & Co. KGaA (DE) 2023-04-27 — — WO claimed
EP-4166670-A1 PLANT-TAG-BASED WEEDING CONTROL KWS SAAT SE & Co. KGaA (DE) 2023-04-19 — — EP claimed
US-10570412-B2 Method of increasing resistance against soybean rust in transgenic plants by increasing the scopoletin content BASF PLANT SCIENCE COMPANY GMBH (DE) 2020-02-25 — — US claimed
CN-110187027-A A kind of method of quality control of capsule preparations that treating gastric ulcer 贵州医科大学 2019-08-30 — — CN claimed
CN-109696514-A A kind of method of 12 kinds of polyphenol compounds in measurement fresh tobacco leaves 云南中烟工业有限责任公司 2019-04-30 — — CN claimed
US-10226477-B2 Composition for preventing, improving or treating postmenopausal osteoporosis comprising scopolin DONG WOO DANG CO., LTD (KR) 2019-03-12 — — US claimed
CN-109105037-A A kind of method of evoking tobacco production scopolin 中国科学院昆明植物研究所 2019-01-01 — — CN claimed
CN-109100432-A Nine kinds of effective components are absorbed and the research method of transporting mechanism in Caco-2 cell model in Sheepear Inula Herb extract 贵州医科大学 2018-12-28 — — CN claimed
CN-102617674-A Preparation method of scopolin monomer in anisodus tanguticus root NORTHWEST INST PLATEAU BIO CAS 2012-08-01 — — CN claimed
WO-2012094636-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-07-12 — — WO claimed
WO-2011151359-A1 COMBINED TREATMENT WITH A CHOLINESTERASE INHIBITOR AND A THIADIAZOLIDINEDIONE DERIVATIVE NOSCIRA, S.A. (ES) 2011-12-08 — — WO claimed
US-20110160057-A1 Morinda Citrifolia Based Antimicrobial Formulations TAHITIAN NONI INTERNATIONAL, INC. 2011-06-30 — — US claimed
CN-102093459-A Penthorum chinense pursh extract and preparation method and application thereof UNIV PLA 2ND MILITARY MEDICAL 2011-06-15 — — CN claimed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 — — US claimed
WO-2010048320-A2 MORINDA CITRIFOLIA BASED ANTIMICROBIAL FORMULATIONS TAHITIAN NONI INTERNATIONAL, INC. (US) 2010-04-29 — — WO claimed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 — — EP claimed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 — — WO claimed
CN-1946414-A Improving profiles of lipid proteins and inhibiting HMG-CoA reductase MORINDA INC (US) 2007-04-11 — — CN claimed

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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE CA12 2252/4885CA9 1961/4885CA1 574/4885
US-10570412-B2 Method of increasing resistance against soybean rust in transgenic plants by increasing the scopoletin content KEAP1, BROX, CROCC CA12 4403/4885CA9 4001/4885CA1 3852/4885
US-10226477-B2 Composition for preventing, improving or treating postmenopausal osteoporosis comprising scopolin SOST, SHBG, CHRM2 CA12 475/4885CA9 886/4885CA1 213/4885

“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.

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