SCHEMBL30486432

SCHEMBL30486432

C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 11/20 0.53
PTPN1 P18031 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
Gentiopicroside SCHEMBL31387950 0.94 STAT3 (0.58) STAT3PTPN1MAPTMEN1KMT2A
Gentiopicroside SCHEMBL154304 0.94 STAT3 (0.58) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL29655354 0.90 STAT3 (0.54) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL28586772 0.80 STAT3 (0.48) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL29655381 0.76 HSP90AA1 (0.48) STAT3PTPN1CA12CA1CA2
SCHEMBL29949817 0.71 GAA (0.61) PTPN1MEN1KMT2ACDK1CCNB1
SCHEMBL29391780 0.70 STAT3 (0.38) STAT3PTPN1MAPTMEN1KMT2A
Sweroside SCHEMBL307117 0.69 STAT3 (1.00) STAT3PTPN1MAPTMEN1KMT2A
Sweroside SCHEMBL14278967 0.69 STAT3 (1.00) STAT3PTPN1MAPTMEN1KMT2A
SCHEMBL28267368 0.67 STAT3 (0.72) STAT3PTPN1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116858971-A Construction method of chrysanthemum and poria cocos compound fingerprint and application thereof 北京中医药大学 2023-10-10 CN claimed
CN-116399977-A Method for simultaneously determining multiple components in liver-strengthening capsules based on liquid chromatography-mass spectrometry technology and application 石家庄东方药业股份有限公司 2023-07-07 CN claimed
CN-116858971-B Construction method of chrysanthemum and poria cocos compound fingerprint and application thereof 北京中医药大学 2025-12-05 CN disclosed
CN-117470982-A Method for researching pharmacokinetics and tissue distribution characteristics of gentian dragon capsule in vivo 西安正大制药有限公司 2024-01-30 CN disclosed
CN-116858971-A Construction method of chrysanthemum and poria cocos compound fingerprint and application thereof 北京中医药大学 2023-10-10 CN disclosed
CN-116858971-A Construction method of chrysanthemum and poria cocos compound fingerprint and application thereof 北京中医药大学 2023-10-10 CN disclosed
CN-116399977-A Method for simultaneously determining multiple components in liver-strengthening capsules based on liquid chromatography-mass spectrometry technology and application 石家庄东方药业股份有限公司 2023-07-07 CN disclosed