Demethylmedicarpin

Demethylmedicarpin

SCHEMBL31663447

Oc1ccc2c(c1)O[C@H]1c3ccc(O)cc3OC[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.78
▸ MAOB P27338 2/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ PTPN1 P18031 3/20 0.62
▸ MGAM O43451 1/20 0.55
▸ ESR1 P03372 1/20 0.51
▸ ESR2 Q92731 1/20 0.51
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
Demethylmedicarpin SCHEMBL29843376 1.00 MAOA (0.78) MAOAMAOBCYP3A4PTPN1MGAM
Medicarpin SCHEMBL2812444 1.00 MAOA (0.78) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL232991 0.92 CYP3A4 (0.68) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL19999737 0.91 MAOA (0.67) MAOAMAOBCYP3A4PTPN1MGAM
Maackiain SCHEMBL28064249 0.88 MAOA (1.00) MAOAMAOBCYP3A4PTPN1MGAM
Maackiain SCHEMBL29670858 0.88 MAOA (1.00) MAOAMAOBCYP3A4PTPN1MGAM
Maackiain SCHEMBL12810278 0.88 MAOA (1.00) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL19999732 0.88 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL72476 0.88 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM
SCHEMBL31039664 0.88 MAPT (0.70) MAOAMAOBCYP3A4PTPN1MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120330221-A Method for preparing pterocarpan compound DEMETHYLMEDICARPIN by one-pot enzyme method 中国科学院华南植物园 2025-07-18 — — CN disclosed
CN-120330221-A Method for preparing pterocarpan compound DEMETHYLMEDICARPIN by one-pot enzyme method 中国科学院华南植物园 2025-07-18 — — CN disclosed
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