SCHEMBL5385682

SCHEMBL5385682

COC(=O)C(Cc1cccc(C#CCCCBr)c1)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
FOLH1 Q04609 1/20 0.35
NLRP3 Q96P20 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
FFAR1 O14842 1/20 0.34
PTGES O14684 6/20 0.34
CYP2D6 P10635 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PTPN1 P18031 1/20 0.34
ACACB O00763 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
SCHEMBL5382045 0.90 PPARG (0.43) PPARGPPARDPPARAFOLH1NLRP3
SCHEMBL5380637 0.82 PPARG (0.67) PPARGPPARDPPARAALDH1A1CYP1A2
SCHEMBL14366461 0.81 PPARG (0.62) PPARGPPARDPPARAALDH1A1PTGES
SCHEMBL5377954 0.77 PPARA (0.52) PPARGPPARDPPARAFFAR1ACACB
SCHEMBL5375724 0.76 PPARG (0.46) PPARGPPARDPPARAALDH1A1TSHR
SCHEMBL14366331 0.75 PPARA (0.67) PPARGPPARDPPARAFFAR1
SCHEMBL14366456 0.73 PPARG (0.79) PPARGPPARDPPARAFFAR1
SCHEMBL5380022 0.73 PPARG (0.79) PPARGPPARDPPARAFFAR1
SCHEMBL5383333 0.72 MAPK1 (0.44) PPARGPPARDPPARAALDH1A1TSHR
SCHEMBL14366607 0.72 MAPK1 (0.44) PPARGPPARDPPARAALDH1A1TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA PPARG 2/4885PPARD 7/4885PPARA 3/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARG 1/4885PPARD 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.