SCHEMBL31028368

SCHEMBL31028368

COc1ccc(C2CC(=O)c3ccc(O)cc3O2)cc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.83
CYP19A1 P11511 14/20 0.81
TP53 P04637 2/20 0.71
CYP3A4 P08684 2/20 0.71
XDH P47989 2/20 0.71
MAPT P10636 1/20 0.71
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
PKM P14618 1/20 0.71
NPC1 O15118 1/20 0.71
CA12 O43570 1/20 0.71
KDM1A O60341 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A1 P04798 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
CA4 P22748 1/20 0.71
DPP4 P27487 1/20 0.71

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
SCHEMBL2968419 1.00 PTPN1 (0.83) PTPN1CYP19A1TP53CYP3A4XDH
SCHEMBL15756384 0.92 PTPN1 (0.84) PTPN1CYP19A1TP53CYP3A4XDH
SCHEMBL31028359 0.91 PTPN1 (1.00) PTPN1CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL2966440 0.91 PTPN1 (1.00) PTPN1CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL29684675 0.91 PTPN1 (1.00) PTPN1CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL27183317 0.87 CYP19A1 (0.75) PTPN1CYP19A1TP53CYP3A4XDH
SCHEMBL17362369 0.86 PTPN1 (0.79) PTPN1CYP19A1TUBB4ATUBBYES1
Butin SCHEMBL68554 0.85 CYP19A1 (1.00) PTPN1CYP19A1TP53CYP3A4MAPT
Liquirtigenin SCHEMBL718387 0.85 CYP19A1 (0.89) PTPN1CYP19A1CYP3A4MAPTNPC1
Butin SCHEMBL29929348 0.85 CYP19A1 (1.00) PTPN1CYP19A1TP53CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4655410-A2 O-METHYLATION OF PHENOLIC SUBSTANCES VIA FUNGAL O-METHYLTRANSFERASE Symrise AG (DE) 2025-12-03 EP claimed
WO-2024156359-A1 O-METHYLATION OF PHENOLIC SUBSTANCES VIA FUNGAL O-METHYLTRANSFERASE SYMRISE AG (DE) 2024-08-02 WO claimed
WO-2024156879-A2 O-METHYLATION OF PHENOLIC SUBSTANCES VIA FUNGAL O-METHYLTRANSFERASE SYMRISE AG (DE) 2024-08-02 WO claimed
EP-4747367-A1 NEW ENZYMES FOR THE MANUFACTURING OF 4'-O-METHYLATED PHENOLIC SUBSTANCES Symrise AG (DE) 2026-05-27 EP disclosed
EP-4655410-A2 O-METHYLATION OF PHENOLIC SUBSTANCES VIA FUNGAL O-METHYLTRANSFERASE Symrise AG (DE) 2025-12-03 EP disclosed
WO-2025017042-A1 NEW ENZYMES FOR THE MANUFACTURING OF 4'-O-METHYLATED PHENOLIC SUBSTANCES SYMRISE AG (DE) 2025-01-23 WO disclosed
WO-2025016533-A1 NEW ENZYMES FOR THE MANUFACTURING OF 4'-O-METHYLATED PHENOLIC SUBSTANCES SYMRISE AG (DE) 2025-01-23 WO disclosed
WO-2024156359-A1 O-METHYLATION OF PHENOLIC SUBSTANCES VIA FUNGAL O-METHYLTRANSFERASE SYMRISE AG (DE) 2024-08-02 WO disclosed
WO-2024156879-A2 O-METHYLATION OF PHENOLIC SUBSTANCES VIA FUNGAL O-METHYLTRANSFERASE SYMRISE AG (DE) 2024-08-02 WO disclosed