Calopocarpin

Calopocarpin

SCHEMBL30659500

CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc(O)cc3O[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.69
▸ CYP3A4 P08684 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ MAOB P27338 1/20 0.56

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
Calopocarpin SCHEMBL29411831 1.00 PTPN1 (0.69) PTPN1CYP3A4MAOAMAOB
SCHEMBL29375586 0.89 PTPN1 (0.60) PTPN1CYP3A4MAOAMAOB
SCHEMBL14812146 0.85 PTPN1 (0.66) PTPN1CYP3A4MAOAMAOB
SCHEMBL14812147 0.85 PTPN1 (0.66) PTPN1CYP3A4MAOAMAOB
Erybraedin C SCHEMBL29572548 0.83 PTPN1 (0.77) PTPN1
Erybreadin C SCHEMBL31237899 0.81 PTPN1 (1.00) PTPN1MAOAMAOB
Phaseollidin SCHEMBL1545850 0.79 PTPN1 (0.77) PTPN1
Phaseollidin SCHEMBL29349654 0.79 PTPN1 (0.77) PTPN1
Medicarpin SCHEMBL2812444 0.79 MAOA (0.78) PTPN1CYP3A4MAOAMAOB
Demethylmedicarpin SCHEMBL31663447 0.79 MAOA (0.78) PTPN1CYP3A4MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102653-B2 Ligand regulated protein-protein interaction system ST. ANNA KINDERKREBSFORSCHUNG (AT) 2024-10-01 — — US disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
US-20240000841-A1 LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM ST ANNA KINDERKREBSFORSCHUNG (AT) 2024-01-04 — — US disclosed
Send feedback