SCHEMBL3544496

SCHEMBL3544496

CCCc1cc(C(=O)c2ccc(OC)cc2)ccc1Oc1cccc(C(C)(O)C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PPARG P37231 8/20 0.43
PPARA Q07869 7/20 0.43
PPARD Q03181 3/20 0.43
STS P08842 2/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MTNR1B P49286 1/20 0.38
ELANE P08246 2/20 0.37
CTSL P07711 1/20 0.37
DRD3 P35462 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3544497 1.00 ALDH1A1 (0.44) ALDH1A1GAAPPARGPPARAPPARD
SCHEMBL3550125 0.81 AR (0.43) PPARDMTNR1BLTB4RLTB4R2NPSR1
SCHEMBL5176042 0.81 PPARG (0.45) PPARGPPARAPPARDPOLBLTB4R
SCHEMBL3549228 0.81 STS (0.48) ALDH1A1GAAPPARGPPARAPPARD
SCHEMBL3546713 0.77 ALDH1A1 (0.40) ALDH1A1GAAPPARGPPARAPPARD
SCHEMBL3553828 0.73 ALDH1A1 (0.43) ALDH1A1GAASTSKDM4EPOLB
SCHEMBL5175479 0.72 PPARG (0.46) PPARGPPARAPPARDPOLB
SCHEMBL3547512 0.72 PPARG (0.41) ALDH1A1GAAPPARGPPARAPPARD
SCHEMBL3552987 0.72 PPARG (0.41) ALDH1A1GAAPPARGPPARAPPARD
SCHEMBL3550995 0.71 AR (0.44) PPARGPPARAPPARDPOLBMTNR1B

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 2 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

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 670/4885PPARG 3/4885

“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.