SCHEMBL5480057

SCHEMBL5480057

CCOC(=O)/C=C\C#Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.43
CYP3A4 P08684 3/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
HCAR2 Q8TDS4 1/20 0.40
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
XPO1 O14980 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 1/20 0.36
ABCB1 P08183 1/20 0.35

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
SCHEMBL5480064 1.00 GRM5 (0.43) GRM5CYP3A4CA12CA1CA2
SCHEMBL5480357 1.00 GRM5 (0.43) GRM5CYP3A4CA12CA1CA2
SCHEMBL28588462 0.85 MAPT (0.44) GRM5CYP3A4CA12CA1CA2
SCHEMBL3889286 0.82 CA12 (0.47) CYP3A4CA12CA1CA2CA7
SCHEMBL3889290 0.82 CA12 (0.47) CYP3A4CA12CA1CA2CA7
SCHEMBL13937614 0.82 CA12 (0.47) CYP3A4CA12CA1CA2CA7
SCHEMBL5475589 0.78 MAPT (0.48) CA12CA1CA2CA7CA9
SCHEMBL13937609 0.78 MAPT (0.49) GRM5CYP3A4CA12CA1CA2
SCHEMBL3886223 0.78 MAPT (0.49) GRM5CYP3A4CA12CA1CA2
SCHEMBL5475595 0.78 MAPT (0.48) CA12CA1CA2CA7CA9

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 GRM5 615/4885CYP3A4 592/4885CA12 4756/4885
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 GRM5 279/4885CYP3A4 1775/4885CA12 4750/4885

“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.