SCHEMBL4456787

SCHEMBL4456787

FC(F)(F)CCc1ccc(OCCCI)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
GLA P06280 1/20 0.48
PPARA Q07869 5/20 0.46
CSNK2A1 P68400 2/20 0.42
BACE1 P56817 1/20 0.38
ATM Q13315 1/20 0.37
S1PR1 P21453 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PPARD Q03181 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARG P37231 2/20 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
SCHEMBL4453941 0.85 CSNK2A1 (0.48) SMN1; SMN2GLAPPARACSNK2A1BACE1
SCHEMBL4451949 0.77 CSNK2A1 (0.51) SMN1; SMN2GLAPPARACSNK2A1BACE1
SCHEMBL4463644 0.76 MRGPRX4 (0.51) PPARAPPARD
SCHEMBL4456784 0.75 PPARA (0.53) SMN1; SMN2PPARAPPARDMEN1KMT2A
SCHEMBL4463869 0.74 PPARA (0.52) PPARAFFAR4PPARDPPARG
SCHEMBL16999887 0.73 MAPT (0.55) SMN1; SMN2NPC1HPGDTSHRRAB9A
SCHEMBL4455338 0.72 PPARG (0.45) SMN1; SMN2GLAPPARACSNK2A1BACE1
SCHEMBL22145343 0.72 PNMT (0.55) SMN1; SMN2SIGMAR1MEN1TP53KMT2A
SCHEMBL15189515 0.70 L3MBTL1 (0.57) SMN1; SMN2PPARAATMMEN1NPC1
SCHEMBL9399818 0.69 SMN1; SMN2 (0.77) SMN1; SMN2GLACSNK2A1BACE1ATM

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 SMN1; SMN2 4667/4885GLA 733/4885PPARA 2/4885

“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.