SCHEMBL3548216

SCHEMBL3548216

CCCc1cc(C(=O)c2ccc(OC)cc2O)ccc1Oc1cccc(C[C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
PGR P06401 2/20 0.38
HPGD P15428 2/20 0.38
SLC6A2 P23975 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDE4A P27815 1/20 0.38
MAPK1 P28482 1/20 0.38
HRH1 P35367 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MTNR1A P48039 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MTNR1B P49286 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
SCHEMBL3550873 0.92 LPAR1 (0.39) SLC6A2HTTSLC6A3KDM4EPOLB
SCHEMBL3547959 0.91 PPARG (0.40) SLC6A2SLC6A3NR1H2NR1H3PPARG
SCHEMBL3548517 0.90 PPARG (0.40) ALDH1A1KDM4EPOLBMTNR1ANPC1
SCHEMBL3543567 0.87 SLC6A2 (0.39) LMNACYP1A2PGRHPGDSLC6A2
SCHEMBL3544113 0.84 PPARG (0.39) SLC6A2SLC6A3NR1H2NR1H3PPARG
SCHEMBL14459759 0.83 PPARG (0.46) HTTALDH1A1KDM4ENR1H2NR1H3
SCHEMBL5175340 0.83 PPARG (0.46) HTTALDH1A1KDM4ENR1H2NR1H3
SCHEMBL3659685 0.83 PPARG (0.40) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3659688 0.83 PPARG (0.40) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL3548346 0.80 PPARG (0.37) SLC6A2SLC6A3NR1H2NR1H3PPARG

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 LMNA 4133/4885CYP1A2 178/4885PGR 1236/4885

“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.