SCHEMBL6404787

SCHEMBL6404787

CC(C)Cn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.64
HTT P42858 2/20 0.56
TSHR P16473 4/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.51
CDC25B P30305 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL6405231 0.89 TSHR (0.68) CPB1HTTTSHRALOX15HSD17B10
SCHEMBL6408888 0.88 CPB1 (0.78) CPB1HTTTSHRALOX15HSD17B10
SCHEMBL6409274 0.82 HTT (0.64) CPB1HTTTSHRALOX15HSD17B10
SCHEMBL6407000 0.80 TSHR (0.57) CPB1HTTTSHRALOX15HSD17B10
SCHEMBL6410539 0.78 ALDH1A1 (0.60) CPB1HTTTSHRALOX15HSD17B10
SCHEMBL6405988 0.74 ALDH1A1 (0.57) TSHRALOX15HSD17B10ALDH1A1LMNA
SCHEMBL4204138 0.72 CPB1 (0.62) CPB1HTTTSHRHSD17B10ALDH1A1
SCHEMBL19163761 0.72 HTT (0.59) CPB1HTTTSHRALOX15HSD17B10
SCHEMBL6404213 0.72 MEN1 (0.62) TSHRALOX15HSD17B10ALDH1A1LMNA
SCHEMBL6409643 0.72 TP53 (0.65) TSHRALOX15HSD17B10ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT CPB1 1022/4885HTT 2113/4885TSHR 3470/4885

“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.