SCHEMBL4455338

SCHEMBL4455338

FC(F)(F)Sc1ccc(OCCCI)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PTPRZ1 P23471 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
PPARD Q03181 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
S1PR4 O95977 3/20 0.34
CSNK2A1 P68400 2/20 0.34
GLA P06280 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
BACE1 P56817 1/20 0.33

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
SCHEMBL10802854 0.85 PPARG (0.45) PPARGPPARAPTPRZ1FFAR4MAPT
SCHEMBL10806846 0.84 PPARG (0.45) PPARGPPARAPTPRZ1FFAR4MAPT
SCHEMBL10809470 0.84 PPARG (0.44) PPARGPPARAPTPRZ1FFAR4MAPT
SCHEMBL4463684 0.78 PPARG (0.50) PPARGPPARAPTPRZ1RAB9APPARD
SCHEMBL4463644 0.77 MRGPRX4 (0.51) PPARAPPARD
SCHEMBL4453941 0.75 CSNK2A1 (0.48) PPARARAB9AATMPPARDSMN1; SMN2
SCHEMBL4463869 0.75 PPARA (0.52) PPARGPPARAFFAR4PPARDCYP3A4
SCHEMBL16999887 0.74 MAPT (0.55) MAPTRAB9ASMN1; SMN2S1PR4NPC1
SCHEMBL4456784 0.73 PPARA (0.53) PPARGPPARAMAPTPPARDSMN1; SMN2
SCHEMBL4456787 0.72 SMN1; SMN2 (0.48) PPARGPPARAFFAR4RAB9AATM

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 PPARG 3/4885PPARA 2/4885PTPRZ1 1877/4885

“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.