SCHEMBL15979709

SCHEMBL15979709

CCc1ccc(C(=O)CCC(=O)c2cccs2)s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
LMNA P02545 4/20 0.66
RAB9A P51151 3/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
NPC1 O15118 2/20 0.66
POLB P06746 1/20 0.66
HPGD P15428 8/20 0.62
HSD17B10 Q99714 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.56
CTNNB1 P35222 7/20 0.54
WNT3A P56704 5/20 0.54
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
USP2 O75604 1/20 0.50

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
SCHEMBL15979674 0.87 ALDH1A1 (0.54) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL25616719 0.83 LMNA (0.61) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL2216212 0.81 ALDH1A1 (1.00) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL15979687 0.81 ALDH1A1 (0.70) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL4262198 0.80 POLB (0.56) ALDH1A1LMNARAB9AKMT2ANPC1
SCHEMBL23222294 0.80 HPGD (0.51) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL22739740 0.80 HPGD (0.51) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL15988678 0.79 ALDH1A1 (0.72) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL3177576 0.78 LMNA (0.77) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL15988680 0.78 HPGD (0.77) ALDH1A1LMNARAB9AMEN1KMT2A

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-9951053-B2 γ-diketones as Wnt/β-catenin signaling pathway activators SAMUMED, LLC (US) 2018-04-24 US disclosed
US-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS MED-PATHWAYS II LIMITED (VG) 2017-09-14 US disclosed
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 (2 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-20170260176-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 ALDH1A1 1019/4885LMNA 1455/4885RAB9A 825/4885
US-20140243349-A1 GAMMA-DIKETONES AS WNT/BETA -CATENIN SIGNALING PATHWAY ACTIVATORS GSK3A, GSK3B, WNT1 ALDH1A1 1019/4885LMNA 1455/4885RAB9A 825/4885

“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.