SCHEMBL13453069

SCHEMBL13453069

CCOC(=O)C(Cc1ccc(CCCC(C)=O)cc1)C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
CYP4Z1 Q86W10 2/20 0.41
CYP4F11 Q9HBI6 1/20 0.41
CYP4F12 Q9HCS2 1/20 0.41
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.38
ALOX5 P09917 2/20 0.37
HSD17B10 Q99714 1/20 0.37
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1417279 0.89 MMP8 (0.47) MMP8CYP4Z1CYP4F11CYP4F12ALDH1A1
SCHEMBL1417367 0.89 CYP4Z1 (0.50) MMP8CYP4Z1CYP4F11CYP4F12CYP4F2
SCHEMBL1682154 0.79 MMP8 (0.50) MMP8ALDH1A1TSHRTP53NPY1R
SCHEMBL3779327 0.77 MMP8 (0.45) MMP8ALDH1A1TSHRTP53NPY1R
SCHEMBL9543295 0.76 PTGS1 (0.49) ALDH1A1TSHRALOX5HSD17B10
SCHEMBL1312803 0.75 MMP8 (0.62) MMP8CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL4779871 0.75 MMP8 (0.59) MMP8ALDH1A1MAPK1TDP1TP53
SCHEMBL15262696 0.74 ALDH1A1 (0.43) MMP8ALDH1A1TSHRMAPK1TDP1
SCHEMBL15261621 0.74 SMN1; SMN2 (0.51) MMP8CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL4128844 0.74 CA12 (0.54) CYP4Z1CYP4F11CYP4F12CYP4F2CYP4A11

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-20120264925-A1 METHOD FOR PRODUCING PYRAZOLE GLYCOSIDE DERIVATIVES SANOFI (FR) 2012-10-18 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-20120264925-A1 METHOD FOR PRODUCING PYRAZOLE GLYCOSIDE DERIVATIVES CYP2F1, CYP4F3, F11 MMP8 2345/4885CYP4Z1 177/4885CYP4F11 4/4885

“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.