SCHEMBL29629350

SCHEMBL29629350

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C/C=C(/C=O)[C@@H]1C(C(=O)OC)=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1C=C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ STAT3 P40763 16/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ELANE P08246 1/20 0.43

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
SCHEMBL29391273 1.00 POLB (0.49) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29425822 0.96 POLB (0.47) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29426030 0.88 STAT3 (0.58) STAT3MAPT
SCHEMBL29420372 0.88 STAT3 (0.58) STAT3MAPT
SCHEMBL29425773 0.88 STAT3 (0.58) STAT3MAPT
Secologanin SCHEMBL431171 0.88 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL28663748 0.85 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL31006406 0.83 STAT3 (0.55) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL29425794 0.80 STAT3 (0.57) POLBCTDSP1STAT3MEN1MAPT
SCHEMBL2135809 0.78 STAT3 (0.52) POLBCTDSP1STAT3MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 — — CN claimed
CN-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 — — CN claimed
WO-2026057521-A1 LONGEVITY EXTENDING COMPOSITIONS MJN U.S. HOLDINGS LLC (US) 2026-03-19 — — WO disclosed
CN-118948925-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-11-15 — — CN disclosed
CN-117959276-A A composition extracted from Celastrus orbiculatus plant for treating cancer, and its preparation method and application 广西仙手棋药业科技有限公司 2024-05-03 — — CN disclosed
CN-112979728-B Polymeric secoiridoid glycoside compound and preparation method and application thereof 深圳市人民医院 2022-05-17 — — CN disclosed
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