SCHEMBL4615647

SCHEMBL4615647

O=C(O)c1ccc(C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
HSD17B10 Q99714 2/20 0.61
USP2 O75604 1/20 0.61
CYP2C19 P33261 1/20 0.61
SCN8A Q9UQD0 4/20 0.58
SCN10A Q9Y5Y9 4/20 0.58
SCN9A Q15858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MAPK14 Q16539 1/20 0.46
PYGL P06737 1/20 0.45

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
SCHEMBL28751454 0.88 CTNNB1 (0.59) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL15916898 0.88 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL543479 0.84 TDP1 (0.48) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL9138387 0.83 CTNNB1 (0.51) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL6791603 0.82 RXFP1 (0.58) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL30775042 0.82 RXFP1 (0.58) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL8653794 0.81 SCN8A (0.44) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL11578390 0.80 PPARG (0.53) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL3656855 0.79 SCN8A (0.62) KDM4EALDH1A1HPGDHSD17B10USP2
SCHEMBL11604040 0.79 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10USP2

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 7 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
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
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US 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 KDM4E 4292/4885ALDH1A1 1398/4885HPGD 269/4885

“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.