SCHEMBL3544506

SCHEMBL3544506

CCCc1cc(-c2ccc(OC)nc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
PTGER3 P43115 1/20 0.39
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
GRM2 Q14416 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.33
SYK P43405 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL13114511 0.87 PPARG (0.40) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL13282982 0.84 PPARG (0.37) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL13114529 0.84 PPARG (0.42) PPARGPPARDPPARA
SCHEMBL3553002 0.80 PPARG (0.38) PPARGPPARDPPARAPTGER3NR1H2
SCHEMBL3545568 0.80 TLR8 (0.40) PPARGPTGER3NR1H2NR1H3CYP3A4
SCHEMBL3545012 0.80 PPARG (0.40) PPARGPPARDPPARAPTGER3NR1H2
SCHEMBL13114534 0.80 PPARG (0.39) PPARGPPARDPPARAPTGER3NR1H2
SCHEMBL5176242 0.80 PTGER3 (0.39) PPARGPPARDPPARAPTGER3NR1H2
SCHEMBL3554098 0.79 PTGER3 (0.39) PPARGPPARDPPARAPTGER3NR1H2
SCHEMBL3547487 0.79 PPARG (0.48) PPARGPPARDPPARAPTGER3NR1H2

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-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 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-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones PPARD, PPARA, PPARG PPARG 3/4885PPARD 1/4885PPARA 2/4885

“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.