SCHEMBL5486388

SCHEMBL5486388

C/C(C#Cc1ccccc1)=C/CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.50
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
APP P05067 1/20 0.41
VCP P55072 1/20 0.40
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
PAM P19021 1/20 0.38
MAPT P10636 1/20 0.38
FFAR4 Q5NUL3 4/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THPO P40225 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL5480902 1.00 FFAR1 (0.50) FFAR1PPARDPPARANPSR1CHRM2
SCHEMBL5480906 1.00 FFAR1 (0.50) FFAR1PPARDPPARANPSR1CHRM2
SCHEMBL9440070 0.92 FFAR1 (0.45) FFAR1PPARDPPARANPSR1CHRM2
SCHEMBL5634911 0.90 FFAR1 (0.54) FFAR1PPARDPPARACHRM2CHRM1
SCHEMBL5634910 0.90 FFAR1 (0.54) FFAR1PPARDPPARACHRM2CHRM1
SCHEMBL5632476 0.87 FFAR1 (0.52) FFAR1PPARDPPARACHRM2CHRM1
SCHEMBL5632474 0.87 FFAR1 (0.52) FFAR1PPARDPPARACHRM2CHRM1
SCHEMBL5634669 0.85 FFAR1 (0.50) FFAR1PPARDPPARACHRM2CHRM1
SCHEMBL5634667 0.85 FFAR1 (0.50) FFAR1PPARDPPARACHRM2CHRM1
SCHEMBL8977007 0.81 FFAR1 (0.48) FFAR1PPARDPPARACHRM2CHRM1

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-7202213-B2 Combination therapy using a dual PPAR-α/PPAR-γ activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders NOVO NORDISK A/S (DK) 2007-04-10 US disclosed
US-20030199451-A1 Combination therapy using a dual PPAR-a/PPAR-y activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders HIGH POINT PHARMACEUTICALS, LLC 2003-10-23 US disclosed
US-6569901-B2 (E)-(S)-2-Ethoxy-3-(4-(5-phenyl-pent-2-en-4-ynyloxy)-phenyl)-propionic acid, ethyl ester for example; treating conditions mediated by Peroxisome Proliferator-Activated Receptors (PPAR); diabetes, obesity NOVO NORDISK A/S (DK) 2003-05-27 US disclosed
EP-1254102-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY Novo Nordisk A/S (DK) 2002-11-06 EP disclosed
US-20010041709-A1 New compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2001-11-15 US disclosed
WO-2001055086-A1 ALKYNYLSUBSTITUTED PROPIONIC ACID DERIVATIVES AND THEIR USE AGAINST DIABETES AND OBESITY NOVO NORDISK A/S (DK) 2001-08-02 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 (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-20010041709-A1 New compounds, their preparation and use PPARG, PPARD, PPARA FFAR1 19/4885PPARD 2/4885PPARA 3/4885
US-20030199451-A1 Combination therapy using a dual PPAR-a/PPAR-y activator and a GLP-1 derivative for the treatment of metabolic syndrome and related diseases and disorders GLP1R, PPARG, PPARA FFAR1 55/4885PPARD 4/4885PPARA 3/4885

“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.