SCHEMBL5486813

SCHEMBL5486813

BrCC=CC#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
PPARG P37231 1/20 0.37
MAPT P10636 3/20 0.36
HCAR2 Q8TDS4 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
GRM5 P41594 1/20 0.33
HTR2A P28223 1/20 0.33
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5486809 1.00 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5507858 0.79 APP (0.61) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5507856 0.79 APP (0.61) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9146168 0.79 APP (0.61) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5480351 0.79 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5487427 0.79 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5483934 0.79 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7386833 0.79 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5480347 0.79 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5487421 0.79 APP (0.44) APPCYP1A2CYP3A4CYP2C9CYP2C19

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 APP 3370/4885CYP1A2 279/4885CYP3A4 592/4885
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 APP 1722/4885CYP1A2 647/4885CYP3A4 1775/4885

“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.