SCHEMBL22704765

SCHEMBL22704765

COc1cc2oc(-c3ccc(O)cc3O)cc2c(OC)c1CC=C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 1.00
▸ DYRK1A Q13627 1/20 0.87
▸ PDE4D Q08499 2/20 0.60
▸ BCHE P06276 3/20 0.59
▸ CYP19A1 P11511 1/20 0.56
▸ AKT1 P31749 1/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ ACHE P22303 1/20 0.53
▸ PPARG P37231 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ MGAM O43451 1/20 0.48
▸ IDH1 O75874 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SI P14410 1/20 0.48
▸ NFKB1 P19838 1/20 0.48

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
SCHEMBL29391195 1.00 PTPN1 (1.00) PTPN1DYRK1APDE4DBCHECYP19A1
Licocoumarone SCHEMBL30220504 0.93 PTPN1 (1.00) PTPN1DYRK1APDE4DBCHECYP19A1
Licocoumarone SCHEMBL758659 0.93 PTPN1 (1.00) PTPN1DYRK1APDE4DBCHECYP19A1
Glycyrin SCHEMBL29388094 0.86 PTPN1 (0.75) PTPN1DYRK1APDE4DBCHEAKT1
Glycyrin SCHEMBL5327472 0.86 PTPN1 (0.75) PTPN1DYRK1APDE4DBCHEAKT1
Glycycoumarin SCHEMBL29390258 0.79 PTPN1 (0.75) PTPN1DYRK1APDE4DBCHECYP19A1
Glycycoumarin SCHEMBL759406 0.79 PTPN1 (0.75) PTPN1DYRK1APDE4DBCHECYP19A1
Moracin I SCHEMBL6823496 0.77 CYP19A1 (0.79) PTPN1DYRK1APDE4DBCHECYP19A1
SCHEMBL10702910 0.75 PTPN1 (0.66) PTPN1DYRK1APDE4DAKT1ESR1
SCHEMBL15941538 0.75 PDE4D (1.00) PTPN1DYRK1APDE4DBCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276831-A1 Food/Beverage Article KIKKOMAN CORPORATION (JP) 2023-09-07 — — US disclosed
US-20230276831-A1 Food/Beverage Article KIKKOMAN CORPORATION (JP) 2023-09-07 — — US disclosed
US-20230276831-A1 Food/Beverage Article KIKKOMAN CORPORATION (JP) 2023-09-07 — — US disclosed
CN-116347990-A Food and drink 龟甲万株式会社 2023-06-27 — — CN disclosed
EP-4176731-A1 FOOD/BEVERAGE ARTICLE Kikkoman Corporation (JP) 2023-05-10 — — EP disclosed
WO-2020236084-A1 MOLECULAR DESIGN OF NEW ANTIBIOTICS AND ANTIBIOTIC ADJUVANTS AGAINST MCR STRAINS SINGAPORE HEALTH SERVICES PTE LTD (SG) 2020-11-26 — — WO disclosed
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