SCHEMBL3550118

SCHEMBL3550118

CCCc1cc(-c2cc(=O)oc3cc(OC)ccc23)ccc1Oc1cccc([C@@]2(C)OC(=O)NC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
PPARG P37231 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.39
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
NOD2 Q9HC29 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
RECQL P46063 1/20 0.37
CYP19A1 P11511 1/20 0.37
KCNA3 P22001 1/20 0.37

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
SCHEMBL13283072 0.92 CA12 (0.37) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL3552510 0.91 PPARG (0.38) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL3543482 0.87 HPGD (0.41) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL3554098 0.87 PTGER3 (0.39) PPARGCYP2C9CYP3A4CYP2C8CYP2D6
SCHEMBL3540902 0.86 PPARG (0.40) HPGDALDH1A1KDM4EHSD17B10PPARG
SCHEMBL3547487 0.85 PPARG (0.48) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL3545568 0.84 TLR8 (0.40) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL13114534 0.82 PPARG (0.39) PPARGCYP2C9CYP3A4CYP2C8CYP2D6
SCHEMBL3553002 0.81 PPARG (0.38) HPGDALDH1A1KDM4EHSD17B10GAA
SCHEMBL13114569 0.80 PPARG (0.41) HPGDKDM4EPPARGCYP2C9CYP3A4

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 HPGD 552/4885ALDH1A1 1332/4885KDM4E 2304/4885

“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.