SCHEMBL5454580

SCHEMBL5454580

COC(=O)CC(C)c1ccc(O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
BLM P54132 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SLC22A3 O75751 1/20 0.54
GAA P10253 1/20 0.53
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.51
PMP22 Q01453 1/20 0.50
FOLH1 Q04609 1/20 0.49
LMNA P02545 1/20 0.49
BCHE P06276 1/20 0.49
TYR P14679 1/20 0.49
ACHE P22303 1/20 0.49
STAT3 P40763 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL5685301 0.87 HSD17B2 (0.54) TSHRBLMNPSR1SLC22A3GAA
SCHEMBL20601159 0.86 PDE4D (0.62) TSHRBLMNPSR1SLC22A3GAA
SCHEMBL21729817 0.84 TNF (0.47) PDE4D
SCHEMBL5449787 0.84 TNF (0.47) TSHRBLMNPSR1PDE4D
SCHEMBL31522502 0.83 MAPT (0.41) GAAACHE
SCHEMBL13140163 0.82 ALDH1A1 (0.59) BLMGAA
SCHEMBL178482 0.80 TSHR (0.62) TSHRBLMNPSR1SLC22A3GAA
SCHEMBL26324469 0.79 ALDH1A1 (0.46) NPSR1GAALMNATYR
SCHEMBL13174521 0.78 ALOX5 (0.46) GAACYP3A4
SCHEMBL20821290 0.78 TSHR (0.58) TSHRBLMNPSR1SLC22A3GAA

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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists SHIONOGI & CO., LTD. (JP) 2007-03-08 US disclosed
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP 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-20070054902-A1 Isoxazole derivatives as peroxisome proliferator-activated receptors agonists NR1H3, NR1H2, RXRA TSHR 176/4885BLM 2774/4885NPSR1 580/4885

“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.