SCHEMBL13709353

SCHEMBL13709353

CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(C(=O)NCC(=O)O)c(C)c2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VDR P11473 7/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ESRRB O95718 1/20 0.40
ESRRG P62508 1/20 0.40
EPHX2 P34913 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
RAB9A P51151 2/20 0.37
HDAC6 Q9UBN7 4/20 0.36
HDAC3 O15379 2/20 0.36
AR P10275 1/20 0.35
CCR2 P41597 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13709348 0.83 VDR (0.39) VDRPPARGPPARDPPARAESRRB
SCHEMBL13709346 0.83 VDR (0.49) VDRESRRBESRRGEPHX2NR1H4
SCHEMBL5153709 0.81 NPSR1 (0.49) VDRPPARGPPARDPPARANR1H4
SCHEMBL13709345 0.81 VDR (0.41) VDRPPARGPPARDPPARAESRRB
SCHEMBL13709272 0.80 PPARG (0.38) VDRPPARGPPARDPPARAESRRB
SCHEMBL13709312 0.79 PPARG (0.38) VDRPPARGPPARDPPARAESRRB
SCHEMBL4492612 0.79 HDAC6 (0.61) VDRHDAC6HDAC3AR
SCHEMBL13709363 0.79 VDR (0.48) VDRPPARGPPARDPPARAEPHX2
SCHEMBL13709275 0.77 CCR2 (0.40) VDRPPARGPPARDPPARAESRRB
SCHEMBL13709360 0.76 VDR (0.35) VDREPHX2NR1H4HDAC6HDAC3

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
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 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 (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-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 VDR 1/4885PPARG 138/4885PPARD 85/4885

“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.