SCHEMBL3552987

SCHEMBL3552987

CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.41
PPARA Q07869 7/20 0.41
PPARD Q03181 5/20 0.41
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
STS P08842 1/20 0.35
MTNR1B P49286 1/20 0.35
DRD3 P35462 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL3547512 1.00 PPARG (0.41) PPARGPPARAPPARDALDH1A1GAA
SCHEMBL3551254 0.95 PPARG (0.41) PPARGPPARAPPARDHCAR2CYP2C9
SCHEMBL3555006 0.92 PPARG (0.42) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL13134449 0.92 PPARG (0.41) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3549278 0.92 PPARG (0.41) PPARGPPARAPPARDALDH1A1HCAR2
SCHEMBL3547453 0.91 PPARG (0.49) PPARGPPARAPPARDNR1H2NR1H3
SCHEMBL3549277 0.91 NPC1 (0.41) PPARGPPARAPPARDALDH1A1HCAR2
SCHEMBL3548366 0.91 PPARG (0.38) PPARGPPARAPPARDALDH1A1HCAR2
SCHEMBL3543567 0.90 SLC6A2 (0.39) PPARGPPARAPPARDALDH1A1HCAR2
SCHEMBL3550957 0.90 PPARG (0.39) PPARGPPARAPPARDNR1H2NR1H3

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 PPARG 3/4885PPARA 2/4885PPARD 1/4885

“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.