SCHEMBL22221908

SCHEMBL22221908

c1ccc2c(c1)OC(c1ccc3c(c1)SCC(c1ccc4c(c1)CCCO4)C3)CS2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
BACE1 P56817 1/20 0.30

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
SCHEMBL19492342 0.85 CTNNB1 (0.38) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL19346117 0.76 CTNNB1 (0.32) CLK1DYRK1ADYRK1BCTNNB1WNT3A
SCHEMBL24317806 0.76 RAB9A (0.45) NPC1RAB9A
SCHEMBL23873221 0.74 LTA4H (0.36)
SCHEMBL19663622 0.73 RAB9A (0.50) NPC1RAB9ACLK1DYRK1ADYRK1B
SCHEMBL24317809 0.72 RAB9A (0.46) NISCHNPC1RAB9A
SCHEMBL20830384 0.69 CTNNB1 (0.36) NPC1RAB9ACLK1DYRK1ADYRK1B
SCHEMBL19346127 0.69 ALOX15 (0.47) NISCHNPC1RAB9A
SCHEMBL22522031 0.67 RAB9A (0.38) NPC1RAB9ACLK1DYRK1ADYRK1B
SCHEMBL18896909 0.67 L3MBTL1 (0.39) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2023-02-23 US disclosed
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2021-06-15 US disclosed
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2020-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200223834-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 NISCH 2459/4885NPC1 1560/4885RAB9A 825/4885
US-20230053726-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 NISCH 2459/4885NPC1 1560/4885RAB9A 825/4885
US-11034682-B2 Gamma-diketones as wnt/β-catenin signaling pathway activators GSK3A, GSK3B, WNT1 NISCH 2528/4885NPC1 1553/4885RAB9A 806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.