SCHEMBL4737162

SCHEMBL4737162

C[C@H]1[C@H](C)[C@@H](c2ccc3c(c2)OCO3)O[C@@H]1c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 2/20 1.00
MAPT P10636 3/20 0.59
CYP3A4 P08684 2/20 0.59
TRPM8 Q7Z2W7 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MCL1 Q07820 1/20 0.59
HTT P42858 1/20 0.54
SOAT1 P35610 6/20 0.52
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HIF1A Q16665 1/20 0.51
EPAS1 Q99814 1/20 0.51

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
SCHEMBL29477291 1.00 MAPK9 (1.00) MAPK9MAPTCYP3A4TRPM8CYP2D6
SCHEMBL1260710 0.87 MAPK9 (0.77) MAPK9MAPTCYP3A4TRPM8CYP2D6
Machilin G SCHEMBL29477303 0.87 MAPK9 (0.75) MAPK9SOAT1HIF1AEPAS1
Machilin G SCHEMBL29477295 0.87 MAPK9 (0.75) MAPK9SOAT1HIF1AEPAS1
Machilin G SCHEMBL31108393 0.87 MAPK9 (0.75) MAPK9SOAT1HIF1AEPAS1
SCHEMBL12604779 0.83 NR3C1 (0.74) MAPK9SOAT1HIF1AEPAS1
SCHEMBL29477356 0.83 NR3C1 (0.74) MAPK9SOAT1HIF1AEPAS1
SCHEMBL29477355 0.83 NR3C1 (0.74) MAPK9SOAT1HIF1AEPAS1
SCHEMBL30991863 0.83 NR3C1 (0.74) MAPK9SOAT1HIF1AEPAS1
SCHEMBL30678812 0.83 MAPK9 (0.69) MAPK9SOAT1HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP claimed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO claimed
CN-114272335-A Traditional Chinese medicine formula for regulating and controlling intestinal function of children 华子昂 2022-04-05 CN claimed
CN-118290264-A Method for synthesizing gamma-hydroxyaldehyde equivalent compound and application thereof 西湖大学 2024-07-05 CN disclosed
EP-4229639-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS Global Biopharma, Inc. (CA) 2023-08-23 EP disclosed
US-20220130493-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-28 US disclosed
WO-2022081889-A1 METHOD AND SYSTEMS FOR PHYTOMEDICINE ANALYTICS FOR RESEARCH OPTIMIZATION AT SCALE GBS GLOBAL BIOPHARMA, INC. (CA) 2022-04-21 WO disclosed
CN-114272335-A Traditional Chinese medicine formula for regulating and controlling intestinal function of children 华子昂 2022-04-05 CN disclosed
WO-2008100977-A2 CARBAMATES THERAPEUTIC RELEASE AGENTS AS AMIDASE INHIBITORS N.V. ORGANON (NL) 2008-08-21 WO disclosed
WO-2008082268-A1 USE OF ROOT EXTRACT OF SAURURUS CHINENSIS FOR MANUFACTURE OF MEDICAMENT FOR VASORELAXATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-07-10 WO disclosed