SCHEMBL4453941

SCHEMBL4453941

FC(F)(F)Cc1ccc(OCCCI)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.48
PPARA Q07869 6/20 0.47
PPARD Q03181 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
BACE1 P56817 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR4 O95977 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR2 Q9HBW0 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
SCHEMBL4456787 0.85 SMN1; SMN2 (0.48) CSNK2A1PPARAPPARDSMN1; SMN2GLA
SCHEMBL4451949 0.85 CSNK2A1 (0.51) CSNK2A1PPARAPPARDSMN1; SMN2GLA
SCHEMBL4463644 0.78 MRGPRX4 (0.51) PPARAPPARDMRGPRX4
SCHEMBL4456784 0.78 PPARA (0.53) PPARAPPARDSMN1; SMN2MEN1KMT2A
SCHEMBL4463869 0.76 PPARA (0.52) PPARAPPARDMRGPRX4
SCHEMBL4456755 0.76 MRGPRX4 (0.52) PPARDSMN1; SMN2NPC1TP53HPGD
SCHEMBL16999887 0.75 MAPT (0.55) SMN1; SMN2NPC1HPGDTSHRRAB9A
SCHEMBL4455338 0.75 PPARG (0.45) CSNK2A1PPARAPPARDSMN1; SMN2GLA
SCHEMBL27738563 0.70 IDO1 (0.52) SMN1; SMN2TSHR
SCHEMBL11565117 0.70 MAPT (0.51) PPARASMN1; SMN2GLAATMMEN1

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 6 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
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 CSNK2A1 2457/4885PPARA 2/4885PPARD 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.