SCHEMBL3549277

SCHEMBL3549277

CCCc1cc(C(=O)c2ccc(OC)cc2OC)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PPARG P37231 5/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3543567 0.93 SLC6A2 (0.39) NPC1NR1H2NR1H3CYP3A4LMNA
SCHEMBL3553710 0.92 HCAR2 (0.38) NR1H2NR1H3CYP3A4HCAR2MAPT
SCHEMBL3551254 0.91 PPARG (0.41) NR1H2NR1H3CYP3A4HCAR2KDM4E
SCHEMBL3552987 0.91 PPARG (0.41) NR1H2NR1H3CYP3A4HCAR2KDM4E
SCHEMBL3547512 0.91 PPARG (0.41) NR1H2NR1H3CYP3A4HCAR2KDM4E
SCHEMBL3548366 0.87 PPARG (0.38) NR1H2NR1H3LMNAHCAR2HTT
SCHEMBL13282890 0.85 PPARG (0.35) NR1H2NR1H3MEN1KMT2AHCAR2
SCHEMBL3554176 0.85 PPARG (0.41) NR1H2NR1H3MAPTPPARGPPARD
SCHEMBL3555006 0.85 PPARG (0.42) NR1H2NR1H3LMNAKMT2ANPSR1
SCHEMBL13134449 0.85 PPARG (0.41) NR1H2NR1H3PPARGPPARDPPARA

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 10 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-7807692-B2 Antidiabetic oxazolidinediones and thiazolidinediones MERCK SHARP & DOHME CORP. (US) 2010-10-05 US disclosed
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
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168164-A1 Antidiabetic Oxazolidinediones and Thiazolidinediones MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1907381-A4 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO INC (US) 2009-08-26 EP disclosed
EP-1907381-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES Merck & Co., Inc. (US) 2008-04-09 EP disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO disclosed
WO-2007008501-A1 ANTIDIABETIC OXAZOLIDINEDIONES AND THIAZOLIDINEDIONES MERCK & CO., INC. (US) 2007-01-18 WO 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 NPC1 1641/4885NR1H2 17/4885NR1H3 42/4885

“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.