SCHEMBL20954088

SCHEMBL20954088

CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.73
▸ DYRK1B Q9Y463 1/20 0.73
▸ ABCB1 P08183 4/20 0.73
▸ PDE5A O76074 1/20 0.69
▸ ESR1 P03372 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ ESR2 Q92731 1/20 0.69
▸ AKT1 P31749 1/20 0.64
▸ MAOA P21397 1/20 0.62
▸ SLC22A2 O15244 1/20 0.59
▸ SLC22A1 O15245 1/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.59
▸ PTPN1 P18031 2/20 0.56
▸ ALOX5 P09917 2/20 0.54
▸ PTGES O14684 1/20 0.54
▸ ACHE P22303 2/20 0.52
▸ BCHE P06276 1/20 0.52
▸ GABRP O00591 1/20 0.51
▸ GABRD O14764 1/20 0.51
▸ KDM1A O60341 1/20 0.51

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
SCHEMBL2688888 0.92 PDE5A (0.82) DYRK1ADYRK1BABCB1PDE5AESR1
SCHEMBL20954090 0.90 PDE5A (0.83) DYRK1ADYRK1BABCB1PDE5AESR1
SCHEMBL20954093 0.85 ABCG2 (0.82) DYRK1ADYRK1BABCB1AKT1ABCG2
SCHEMBL20045165 0.85 DYRK1A (1.00) DYRK1ADYRK1BABCB1PDE5AESR1
SCHEMBL1231403 0.82 PDE4D (1.00) DYRK1ADYRK1BABCB1PDE5AESR1
SCHEMBL29808504 0.82 PDE4D (1.00) DYRK1ADYRK1BABCB1PDE5AESR1
SCHEMBL3192507 0.80 PDE5A (0.83) DYRK1ADYRK1BABCB1PDE5AESR1
SCHEMBL4828372 0.78 AKT1 (1.00) DYRK1ADYRK1BPDE5AESR1PDE4D
SCHEMBL4227433 0.78 PDE5A (0.80) DYRK1ADYRK1BPDE5AESR1PDE4D
SCHEMBL3336171 0.77 ALOX5 (0.77) DYRK1ADYRK1BABCB1PDE5AESR1

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
US-12474327-B2 Metabolic profiling for the diagnosis of a subset of idiopathic autism spectrum disorder patients, ADS Phenotype 1 STALICLA SA (CH) 2025-11-18 — — US disclosed
US-20220003753-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ADS PHENOTYPE 1 STALICLA SA (CH) 2022-01-06 — — US disclosed
EP-3877540-A1 METABOLIC PROFILING FOR THE DIAGNOSIS OF A SUBSET OF IDIOPATHIC AUTISM SPECTRUM DISORDER PATIENTS, ASD PHENOTYPE 1 Stalicla S.A. (CH) 2021-09-15 — — EP disclosed
CN-113166811-A Metabolic profiling for diagnosing subtype ASD phenotype 1 in patients with idiopathic autism spectrum disorders 斯大利卡拉公司 2021-07-23 — — CN disclosed
US-20210187127-A1 CHALLENGE TEST FOR DIAGNOSING A SUBTYPE OF AUTISM SPECTRUM DISEASE STALICLA SA (CH) 2021-06-24 — — US disclosed
EP-3706806-A1 CHALLENGE TEST FOR DIAGNOSING A SUBTYPE OF AUTISM SPECTRUM DISEASE Stalicla S.A. (CH) 2020-09-16 — — EP disclosed
US-20190134229-A1 METHOD OF IDENTIFYING ASD PHENOTYPE 1 PATIENTS Stalicla S.A. (CH) 2019-05-09 — — US disclosed
US-20190134230-A1 CHALLENGE TEST FOR DIAGNOSING SUBTYPES OF ASD Stalicla S.A. (CH) 2019-05-09 — — US disclosed
EP-3479845-A1 CHALLENGE TEST FOR DIAGNOSING SUBTYPE OF AUTISM SPECTRUM DISEASE Stalicla S.A. (CH) 2019-05-08 — — EP disclosed
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