SCHEMBL13709339

SCHEMBL13709339

CCC(CC)(c1ccc(C(=O)C(C)C2(O)CCCCC2)c(C)c1)c1ccc(C(=O)N(C)CC(=O)O)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.38
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
ESR1 P03372 1/20 0.30
AR P10275 1/20 0.30
ESR2 Q92731 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL13709300 0.99 VDR (0.38) VDRPDK1PDK2PDK3PDK4
SCHEMBL13709399 0.92 VDR (0.33) VDRESR1ARESR2SLC6A2
SCHEMBL13709398 0.91 VDR (0.33) VDRESR1ARESR2SLC6A2
SCHEMBL13709338 0.87 VDR (0.32) VDRESR1ARESR2SLC6A2
SCHEMBL13709295 0.86 VDR (0.32) VDRESR1ARESR2
SCHEMBL13709336 0.86 VDR (0.36) VDR
SCHEMBL13709330 0.85 VDR (0.34) VDRAR
SCHEMBL13709326 0.85 VDR (0.43) VDRAR
SCHEMBL13709293 0.85 VDR (0.37) VDRPDK1PDK2PDK3PDK4
SCHEMBL13709299 0.84 VDR (0.34) VDRESR1ARESR2

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 1/4885PDK1 1030/4885PDK2 2677/4885

“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.