SCHEMBL4894080

SCHEMBL4894080

CC(C)(C)OC(=O)CCc1ccc(OCCCOc2ccc(-c3ccccc3)cc2)cc1CNC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.44
PPARA Q07869 7/20 0.44
EPHX2 P34913 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARD Q03181 2/20 0.40
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40

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
SCHEMBL4888272 0.87 PPARG (0.52) PPARGPPARANPC1RAB9AHTT
SCHEMBL4896559 0.85 PPARG (0.52) PPARGPPARANPC1RAB9AHDAC3
SCHEMBL4885499 0.81 FFAR4 (0.50) PPARGPPARAPPARDHDAC1HDAC2
SCHEMBL4892006 0.81 EPHX2 (0.45) EPHX2RAB9ANR1H2
SCHEMBL4894779 0.79 FFAR4 (0.50) PPARGPPARAEPHX2PPARDHDAC1
SCHEMBL4888371 0.79 PPARG (0.51) PPARGPPARANPC1RAB9AHTT
SCHEMBL4898434 0.77 PPARG (0.51) PPARGPPARANPC1RAB9AHTT
SCHEMBL2652250 0.77 NPC1 (0.56) PPARGNPC1RAB9AMEN1KMT2A
SCHEMBL4893180 0.76 PPARG (0.51) PPARGPPARANPC1RAB9AHTT
SCHEMBL4895913 0.76 EPHX1 (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885EPHX2 2327/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD PPARG 1/4885PPARA 2/4885EPHX2 2327/4885

“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.