SCHEMBL4456784

SCHEMBL4456784

FC(F)(F)COc1ccc(OCCCI)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.53
PPARG P37231 7/20 0.49
PPARD Q03181 7/20 0.49
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL6795753 0.85 PPARA (0.53) PPARAPPARGPPARDMEN1MAPT
SCHEMBL4463869 0.84 PPARA (0.52) PPARAPPARGPPARDCYP2C9
SCHEMBL4463644 0.80 MRGPRX4 (0.51) PPARAPPARD
SCHEMBL11565117 0.78 MAPT (0.51) PPARAMEN1MAPTHTTKMT2A
SCHEMBL4453941 0.78 CSNK2A1 (0.48) PPARAPPARDMEN1KMT2ASMN1; SMN2
SCHEMBL4465407 0.76 PPARA (0.50) PPARAPPARGPPARDCYP2C9
SCHEMBL4456787 0.75 SMN1; SMN2 (0.48) PPARAPPARGPPARDMEN1KMT2A
SCHEMBL28012956 0.75 MRGPRX4 (0.46) PPARAPPARGMEN1MAPTHTT
SCHEMBL16999887 0.74 MAPT (0.55) MAPTKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11433262 0.74 MAPT (0.54) PPARAMEN1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
US-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 US disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 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-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG PPARA 2/4885PPARG 3/4885PPARD 1/4885

“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.