SCHEMBL3554176

SCHEMBL3554176

CCCc1cc(C(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.41
MAPT P10636 2/20 0.37
RAB9A P51151 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
SLC6A4 P31645 6/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 2/20 0.34
TP53 P04637 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SRD5A2 P31213 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL3541499 0.93 PPARG (0.40) PPARGMRGPRX4PPARDPPARASLC6A4
SCHEMBL3550176 0.92 PPARG (0.40) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL3547453 0.91 PPARG (0.49) PPARGMRGPRX4PPARDPPARANR1H2
SCHEMBL13114507 0.88 PPARG (0.41) PPARGPPARDPPARASLC6A4SLC6A2
SCHEMBL13134676 0.87 PPARG (0.41) PPARGMAPTPPARDPPARASLC6A4
SCHEMBL5175243 0.86 PPARG (0.41) PPARGMRGPRX4SLC6A4KCNH2HTR2A
SCHEMBL3549277 0.85 NPC1 (0.41) PPARGMAPTRAB9APPARDPPARA
SCHEMBL13282890 0.85 PPARG (0.35) PPARGMAPTPPARDPPARANR1H2
SCHEMBL13134449 0.85 PPARG (0.41) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL3549278 0.85 PPARG (0.41) PPARGPPARDPPARANR1H2NR1H3

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 3/4885MAPT 4464/4885RAB9A 4034/4885

“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.