SCHEMBL4615375

SCHEMBL4615375

CCOC(=O)CCc1ccc(Oc2cccc(C(C)NC(=O)c3ccc(C(F)(F)F)cc3F)c2)cc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.45
KCNQ2 O43526 3/20 0.45
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
KCNB1 Q14721 2/20 0.40
KCNK2 O95069 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.40
CETP P11597 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38

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
SCHEMBL4615366 1.00 KCNQ3 (0.45) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL4615884 0.91 PPARG (0.51) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL4615883 0.91 PPARG (0.51) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL4614721 0.86 PPARG (0.51) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL14289682 0.85 PPARG (0.61) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL5411815 0.85 PPARG (0.61) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL14289628 0.85 PPARG (0.62) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL4614067 0.85 PPARG (0.62) KCNQ3KCNQ2PPARGPPARDPPARA
SCHEMBL4615887 0.83 PPARG (0.54) PPARGPPARDPPARA
SCHEMBL5704408 0.83 PPARD (0.54) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KCNQ3 3258/4885KCNQ2 3007/4885PPARG 1/4885

“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.