SCHEMBL19463534

SCHEMBL19463534

C/C(=C\Cc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O)CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.62
▸ SLCO2B1 O94956 2/20 0.62
▸ ESR1 P03372 4/20 0.57
▸ ABCG2 Q9UNQ0 4/20 0.57
▸ ESR2 Q92731 2/20 0.57
▸ AKR1B10 O60218 2/20 0.57
▸ AKR1B1 P15121 2/20 0.57
▸ CACNA1G O43497 2/20 0.57
▸ CACNA1H O95180 2/20 0.57
▸ MAOA P21397 1/20 0.57
▸ PDE5A O76074 1/20 0.57
▸ PDPK1 O15530 1/20 0.57
▸ PRKCA P17252 1/20 0.57
▸ BACE1 P56817 1/20 0.57
▸ PRKCQ Q04759 1/20 0.57
▸ KDM1A O60341 1/20 0.54
▸ SYNJ2 O15056 1/20 0.54
▸ XDH P47989 1/20 0.54
▸ CYP19A1 P11511 2/20 0.53
▸ GSK3B P49841 1/20 0.53

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
SCHEMBL19463533 1.00 PTPN1 (0.62) PTPN1SLCO2B1ESR1ABCG2ESR2
SCHEMBL19004052 0.94 ESR1 (0.65) PTPN1SLCO2B1ESR1ABCG2ESR2
SCHEMBL4742873 0.81 PTPN1 (0.46) PTPN1SLCO2B1ESR1ABCG2ESR2
Phellamurin SCHEMBL27013577 0.80 PTPN1 (0.47) PTPN1SLCO2B1ESR1ABCG2ESR2
Phellamurin SCHEMBL30291874 0.80 PTPN1 (0.47) PTPN1SLCO2B1ESR1ABCG2ESR2
Munduleaflavanone B SCHEMBL14049994 0.77 ESR1 (0.87) PTPN1ESR1ABCG2ESR2AKR1B10
Prunin SCHEMBL318229 0.77 SLCO2B1 (1.00) PTPN1SLCO2B1ESR1ESR2AKR1B1
Prunin SCHEMBL318230 0.77 SLCO2B1 (1.00) PTPN1SLCO2B1ESR1ESR2AKR1B1
Prunin SCHEMBL2532187 0.77 SLCO2B1 (1.00) PTPN1SLCO2B1ESR1ESR2AKR1B1
Prunin SCHEMBL31233342 0.77 SLCO2B1 (1.00) PTPN1SLCO2B1ESR1ESR2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443354-B1 SPECTROMETRIC ANALYSIS OF PLANTS MICROMASS LTD (GB) 2025-08-20 — — EP disclosed
US-11454611-B2 Spectrometric analysis of plants MICROMASS UK LIMITED (GB) 2022-09-27 — — US disclosed
US-20210215638-A1 SPECTROMETRIC ANALYSIS OF PLANTS MICROMASS UK LIMITED (GB) 2021-07-15 — — US disclosed
EP-3443354-A1 SPECTROMETRIC ANALYSIS OF PLANTS Micromass UK Limited (GB) 2019-02-20 — — EP disclosed
WO-2017178833-A1 SPECTROMETRIC ANALYSIS OF PLANTS MICROMASS UK LIMITED (GB) 2017-10-19 — — WO disclosed
Send feedback