SCHEMBL4018445

SCHEMBL4018445

CCCc1cc(OC(c2ccc(C(C)C)cc2)c2nnn[nH]2)cc(CCC)c1C(=O)CC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.43
PPARA Q07869 18/20 0.43
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4017767 0.84 PPARA (0.61) PPARGPPARA
SCHEMBL4012672 0.66 PPARA (0.65) PPARGPPARA
SCHEMBL7313279 0.61 MAOA (0.43) ALDH1A1POLBMAPT
SCHEMBL4019100 0.61 PPARA (1.00) PPARGPPARA
SCHEMBL4013093 0.60 PPARA (0.80) PPARGPPARA
SCHEMBL4014883 0.60 PPARA (0.69) PPARGPPARA
SCHEMBL11789966 0.59 PPARG (0.54) PPARGPPARAALDH1A1HPGD
Butane SCHEMBL10985150 0.58 USP5 (0.59) PPARGPPARAMEN1ALDH1A1POLB
SCHEMBL3404341 0.57 USP5 (0.63) PPARGPPARAMEN1ALDH1A1POLB
SCHEMBL7445813 0.57 ADRA2A (0.38)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495020-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2009-02-24 US disclosed
US-7091230-B2 2-aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK & CO., INC. (US) 2006-08-15 US disclosed
US-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2006-06-08 US disclosed
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders MERCK SHARP & DOHME CORP. 2004-05-13 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 (2 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-20060122242-A1 2-Aryloxy-2-arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PPARG 2/4885PPARA 1/4885MEN1 4882/4885
US-20040092596-A1 2-Aryloxy-2arylalkanoic acids for diabetes and lipid disorders PPARA, PPARG, PPARD PPARG 2/4885PPARA 1/4885MEN1 4880/4885

“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.