SCHEMBL3546713

SCHEMBL3546713

COc1ccc(C(=O)c2ccc(Oc3cccc([C@@](C)(O)C(=O)O)c3)c(CC3CC3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
STS P08842 2/20 0.37
PPM1D O15297 1/20 0.37
FGFR2 P21802 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL3553828 0.80 ALDH1A1 (0.43) ALDH1A1GAAPOLBKDM4ESTS
SCHEMBL3544497 0.77 ALDH1A1 (0.44) ALDH1A1GAAPOLBKDM4ESTS
SCHEMBL3544496 0.77 ALDH1A1 (0.44) ALDH1A1GAAPOLBKDM4ESTS
SCHEMBL1368545 0.71 CES2 (0.49) POLBKDM4EMAPTHTTNPSR1
SCHEMBL3550995 0.68 AR (0.44) POLBSLC6A4SLC6A2SLC6A3PPARG
SCHEMBL7319456 0.67 AKR1C3 (0.50) ALDH1A1POLBKDM4EPPARGPPARA
SCHEMBL3549228 0.67 STS (0.48) ALDH1A1GAAPOLBKDM4ESTS
SCHEMBL5175479 0.67 PPARG (0.46) POLBPPARGPPARDPPARA
SCHEMBL7325996 0.66 L3MBTL1 (0.57) ALDH1A1KDM4EACHEMAPTELANE
SCHEMBL6338988 0.64 ALDH1A1 (0.60) ALDH1A1GAAPOLBMEN1KMT2A

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 5 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
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

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 ALDH1A1 1332/4885GAA 670/4885POLB 2151/4885

“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.