SCHEMBL27193647

SCHEMBL27193647

O=c1c(O[C@H]2OC(CO)[C@@H](O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(O)c12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HB P07237 4/20 0.87
▸ AKR1B1 P15121 4/20 0.87
▸ CA12 O43570 2/20 0.87
▸ CA2 P00918 2/20 0.87
▸ CA4 P22748 2/20 0.87
▸ CA7 P43166 2/20 0.87
▸ ACHE P22303 1/20 0.87
▸ KDM4E B2RXH2 4/20 0.76
▸ GAA P10253 4/20 0.76
▸ POLB P06746 3/20 0.76
▸ APEX1 P27695 1/20 0.76
▸ RECQL P46063 1/20 0.76
▸ EPHX2 P34913 5/20 0.75
▸ SMN1; SMN2 Q16637 3/20 0.75
▸ MAPT P10636 2/20 0.75
▸ SLCO2B1 O94956 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ ADRA2C P18825 1/20 0.75
▸ NOX4 Q9NPH5 1/20 0.75
▸ KDM1A O60341 1/20 0.75

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
SCHEMBL30217565 1.00 P4HB (0.87) P4HBAKR1B1CA12CA2CA4
SCHEMBL9993788 1.00 P4HB (0.87) P4HBAKR1B1CA12CA2CA4
SCHEMBL29453024 1.00 P4HB (0.87) P4HBAKR1B1CA12CA2CA4
SCHEMBL4391457 1.00 P4HB (0.87) P4HBAKR1B1CA12CA2CA4
SCHEMBL31173775 1.00 P4HB (0.87) P4HBAKR1B1CA12CA2CA4
SCHEMBL30456667 0.95 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL9993267 0.95 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30217549 0.95 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL30637576 0.95 P4HB (0.79) P4HBAKR1B1CA12CA2CA4
SCHEMBL31720497 0.95 P4HB (0.79) P4HBAKR1B1CA12CA2CA4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115645-A1 DRUG FOR TREATING UROLITHIASIS-RELATED DISEASE, AND PREPARATION METHOD THEREFOR HONG ZHANG (CN) 2024-04-11 — — US disclosed
CN-117582464-A Extraction method and application of active ingredients for treating cerebral infarction in Va drug Nie Liang administration 云南省中医医院(云南中医药大学第一附属医院) 2024-02-23 — — CN disclosed
CN-115212252-A Application of Va drug Nierone in preparation of drugs for treating cerebral infarction 云南省中医医院(云南中医药大学第一附属医院) 2022-10-21 — — CN disclosed
CN-114031656-A Medicine for treating urinary calculus related diseases and preparation method thereof 张弘 2022-02-11 — — CN disclosed
CN-113559198-A Medicine special for treating lumbar disc herniation 杨守信 2021-10-29 — — CN disclosed
CN-113521194-A Medicinal liquor and preparation method and application thereof 谢小来 2021-10-22 — — CN disclosed
CN-109490437-B Fingerprint detection method of white peony root 南京海昌中药集团有限公司 2021-05-25 — — CN disclosed
CN-112717010-A Traditional Chinese medicine composition for treating wind-cold exterior deficiency syndrome of new coronavirus and preparation method thereof 徐修信 2021-04-30 — — CN disclosed
CN-108948125-B Method for preparing polygala japonica sapogenin by using polygala japonica 长沙爱扬医药科技有限公司 2021-01-26 — — CN disclosed
CN-110613833-A Mucosa repair composition 上海龙禧投资有限公司 2019-12-27 — — CN disclosed
CN-109490437-A The fingerprint atlas detection method of Radix Paeoniae Alba 南京海昌中药集团有限公司 2019-03-19 — — CN disclosed
CN-108948125-A The method for preparing Japanese polygala saponin member using Japanese polygala 长沙爱扬医药科技有限公司 2018-12-07 — — CN disclosed
CN-104873733-B A kind of functional pharmaceutical chemistry inhibiting female soft-shelled turtle gonad development and preparation method thereof and feeding method 合肥市畜牧水产技术推广中心 2018-07-24 — — CN disclosed
CN-105596974-A White peony root health oral liquid for invigorating energy, tonifying blood and removing spots, and preparation method thereof QINGDAO HENGBO INSTR CO LTD 2016-05-25 — — CN disclosed
CN-1305415-C Sports type health-care beverage and preparation method thereof SHAO JIANGUO (CN) 2007-03-21 — — CN disclosed
CN-1666675-A Sports type health-care beverage and preparation method thereof SHAO JIANGUO (CN) 2005-09-14 — — CN 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240115645-A1 DRUG FOR TREATING UROLITHIASIS-RELATED DISEASE, AND PREPARATION METHOD THEREFOR HK1, HKDC1, HK2 P4HB 3720/4885AKR1B1 2067/4885CA12 2601/4885

“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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