SCHEMBL31028359

SCHEMBL31028359

COc1cc(C2CC(=O)c3ccc(O)cc3O2)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 1.00
CYP19A1 P11511 12/20 0.81
POLB P06746 1/20 0.71
CYP1A1 P04798 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP1B1 Q16678 1/20 0.71
TUBB4A P04350 1/20 0.68
TUBB P07437 1/20 0.68
YES1 P07947 1/20 0.68
TUBA3C P0DPH7 1/20 0.68
TUBA1B P68363 1/20 0.68
TUBA4A P68366 1/20 0.68
TUBB4B P68371 1/20 0.68
TUBB3 Q13509 1/20 0.68
TUBB2A Q13885 1/20 0.68
TUBB8 Q3ZCM7 1/20 0.68
TUBA3E Q6PEY2 1/20 0.68
TUBA1A Q71U36 1/20 0.68
ESR2 Q92731 1/20 0.68
TUBA1C Q9BQE3 1/20 0.68

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
SCHEMBL2966440 1.00 PTPN1 (1.00) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL29684675 1.00 PTPN1 (1.00) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL15756384 0.92 PTPN1 (0.84) PTPN1CYP19A1POLBTUBB4ATUBB
SCHEMBL31028368 0.91 PTPN1 (0.83) PTPN1CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL2968419 0.91 PTPN1 (0.83) PTPN1CYP19A1CYP1A1CYP1A2CYP1B1
SCHEMBL17362369 0.88 PTPN1 (0.79) PTPN1CYP19A1TUBB4ATUBBYES1
SCHEMBL5084433 0.87 PTPN1 (0.77) PTPN1CYP19A1POLBCYP1A1CYP1A2
SCHEMBL5084437 0.87 PTPN1 (0.77) PTPN1CYP19A1POLBCYP1A1CYP1A2
Liquirtigenin SCHEMBL718387 0.85 CYP19A1 (0.89) PTPN1CYP19A1TUBB4ATUBBYES1
Butin SCHEMBL68554 0.85 CYP19A1 (1.00) PTPN1CYP19A1POLBCYP1A1CYP1A2

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 8 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-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