SCHEMBL15979702

SCHEMBL15979702

Cc1cc(C(=O)CCC(=O)c2cc(Cl)c(Cl)s2)sc1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.57
DAO P14920 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
STING1 Q86WV6 6/20 0.38
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32

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
SCHEMBL17929704 0.90 GSK3B (0.61) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL17529399 0.90 GSK3B (0.61) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL15988690 0.86 GSK3B (0.74) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL15979710 0.77 MEN1 (0.52) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL27534655 0.75 GSK3B (0.69) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL6788530 0.73 GSK3B (1.00) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL31593316 0.72 GSK3B (0.69) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL18265830 0.71 GSK3B (0.62) GSK3BDAOALDH1A1MEN1MAPT
SCHEMBL13841465 0.71 GSK3B (0.42) GSK3BKDM4E
SCHEMBL13841463 0.70 GSK3B (0.41) GSK3BDAOALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533976-B2 γ-diketones as WNT/β-catenin signaling pathway activators SAMUMED, LLC (US) 2017-01-03 US disclosed
US-20140243349-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS VICKERS VENTURE FUND VI PTE. LTD. (SG) 2014-08-28 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-20140243349-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 GSK3B 2/4885DAO 3651/4885ALDH1A1 1019/4885

“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.