SCHEMBL13709288

SCHEMBL13709288

CCC(CC)(c1ccc(C(=O)CC2(O)CCCC2)c(C)c1)c1ccc(C(=O)N(C)C(C)(C)C(=O)O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.33
ERAP1 Q9NZ08 1/20 0.32
AR P10275 3/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
RXRA P19793 1/20 0.31
CYP26B1 Q9NR63 2/20 0.30
CYP26A1 O43174 1/20 0.30

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
SCHEMBL13709321 0.99 NPC1 (0.33) VDRERAP1ARESR1ESR2
SCHEMBL13709283 0.86 HDAC3 (0.33) VDRERAP1AR
SCHEMBL13709332 0.85 HDAC3 (0.33) VDRERAP1ADORA3
SCHEMBL13709289 0.84 VDR (0.38) VDRARESR1ESR2NPC1
SCHEMBL13709320 0.83 VDR (0.37) VDRARESR1ESR2NPC1
SCHEMBL13709299 0.83 VDR (0.34) VDRERAP1ARESR1ESR2
SCHEMBL13709287 0.82 USP19 (0.32) VDRARESR1ESR2NPC1
SCHEMBL13709330 0.82 VDR (0.34) VDRERAP1ARADORA3
SCHEMBL13709337 0.82 NPC1 (0.32) ARESR1ESR2NPC1RAB9A
SCHEMBL13709279 0.81 ESR1 (0.34) VDRERAP1ESR1

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 1/4885ERAP1 2519/4885AR 579/4885

“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.