SCHEMBL5752376

SCHEMBL5752376

CCOC(=O)C(Cc1ccc(F)cc1)C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.47
EPHX2 P34913 3/20 0.47
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PPARA Q07869 2/20 0.41
FFAR1 O14842 2/20 0.40
PDE2A O00408 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7125123 0.90 SMN1; SMN2 (0.45) PPARGEPHX2
SCHEMBL5749823 0.85 MEN1 (0.48) PPARGEPHX2PPARAFFAR1
SCHEMBL5749682 0.83 PPARG (0.44) PPARGEPHX2NOS3NOS1NOS2
SCHEMBL5751624 0.83 PPARG (0.44) PPARGEPHX2NOS3NOS1NOS2
SCHEMBL8071452 0.82 NOS3 (0.42) PPARGNOS3NOS1NOS2PPARA
SCHEMBL5755755 0.82 PPARG (0.43) PPARGEPHX2PPARAFFAR1KCNQ3
SCHEMBL5753730 0.81 NOS3 (0.47) PPARGEPHX2NOS3NOS1NOS2
SCHEMBL5750535 0.78 PPARG (0.34) PPARGEPHX2FFAR1NPSR1
SCHEMBL5753448 0.77 CETP (0.37) PPARGEPHX2PPARA
SCHEMBL5751205 0.77 PPARG (0.54) PPARGEPHX2NOS3NOS1NOS2

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-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP PPARG 905/4885EPHX2 1434/4885NOS3 2157/4885

“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.