SCHEMBL29572230

SCHEMBL29572230

COc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC[C@@H]21

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ MAOA P21397 2/20 0.63
▸ MAOB P27338 2/20 0.63
▸ CYP3A4 P08684 2/20 0.63
▸ PTPN1 P18031 2/20 0.55
▸ MGAM O43451 1/20 0.52
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ CYP19A1 P11511 1/20 0.43
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ USP2 O75604 1/20 0.42

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
SCHEMBL72476 1.00 MAPT (0.70) MAPTMAPK1TDP1MAOAMAOB
SCHEMBL72477 1.00 MAPT (0.70) MAPTMAPK1TDP1MAOAMAOB
SCHEMBL31039664 1.00 MAPT (0.70) MAPTMAPK1TDP1MAOAMAOB
SCHEMBL19999732 1.00 MAPT (0.70) MAPTMAPK1TDP1MAOAMAOB
SCHEMBL12912390 1.00 MAPT (0.70) MAPTMAPK1TDP1MAOAMAOB
Homopterocarpin SCHEMBL31237481 0.92 MAPT (0.80) MAPTMAPK1TDP1MAOAMAOB
Homopterocarpin SCHEMBL12998414 0.92 MAPT (0.80) MAPTMAPK1TDP1MAOAMAOB
Homopterocarpin SCHEMBL29366996 0.92 MAPT (0.80) MAPTMAPK1TDP1MAOAMAOB
Homopterocarpin SCHEMBL12810250 0.92 MAPT (0.80) MAPTMAPK1TDP1MAOAMAOB
Homopterocarpin SCHEMBL12810803 0.92 MAPT (0.80) MAPTMAPK1TDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4471790-B1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MICROBIOTX HEALTH PRIVATE LTD (IN) 2026-04-01 — — EP disclosed
US-20240404637-A1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MICROBIOTX HEALTH PRIVATE LIMITED (IN) 2024-12-05 — — US disclosed
EP-4471790-A1 SYSTEM AND METHOD FOR DETERMINING MICROBIOME FROM HOST METABOLOME USING A MACHINE LEARNING MODEL MicrobioTx Health Private Limited (IN) 2024-12-04 — — EP disclosed
CN-115868630-A Plant functional beverage and preparation method thereof 山东金源中草药有限公司 2023-03-31 — — CN disclosed
CN-114437100-A Method for extracting santalin from sea sword beans and application of santalin 郑州师范学院 2022-05-06 — — CN disclosed
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