SCHEMBL17190804

SCHEMBL17190804

O=C(CC(=O)c1ccccn1)c1ccc2c(c1)OCCC2

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 16/20 0.72
WNT3A P56704 14/20 0.54
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL15979790 0.91 CTNNB1 (0.72) CTNNB1WNT3A
SCHEMBL653271 0.84 CTNNB1 (1.00) CTNNB1WNT3ANPC1RAB9APKM
SCHEMBL15979799 0.81 CTNNB1 (0.77) CTNNB1WNT3A
SCHEMBL15979792 0.76 CTNNB1 (0.80) CTNNB1WNT3ANPC1RAB9APKM
SCHEMBL14410546 0.74 CTNNB1 (0.56) CTNNB1WNT3ANPC1RAB9APKM
SCHEMBL654355 0.74 CTNNB1 (1.00) CTNNB1WNT3APKM
SCHEMBL15979791 0.74 CTNNB1 (0.69) CTNNB1WNT3APKM
SCHEMBL15979793 0.73 CTNNB1 (0.72) CTNNB1WNT3A
SCHEMBL15988825 0.73 CTNNB1 (0.69) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15988776 0.73 CTNNB1 (0.73) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303010-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2016-04-05 US disclosed
US-9303010-B2 β- and γ-diketones and γ-hydroxyketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2016-04-05 US disclosed
US-20150299174-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2015-10-22 US disclosed
US-20150299174-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2015-10-22 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 (1 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-20150299174-A1 B- AND y -DIKETONES AND y -HYDROXYKETONES AS WNT/ B -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3B, GSK3A, WNT3A CTNNB1 7/4885WNT3A 3/4885NPC1 2267/4885

“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.