SCHEMBL13709274

SCHEMBL13709274

CCC(CC)(c1ccc(CC(C)C2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)C(=O)O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.39
S1PR1 P21453 1/20 0.37
CCR2 P41597 1/20 0.35
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 2/20 0.32
HDAC6 Q9UBN7 3/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
EPHX2 P34913 1/20 0.31
SLC6A9 P48067 1/20 0.31
HDAC3 O15379 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL13709311 0.99 VDR (0.39) VDRS1PR1CCR2CA1CA12
SCHEMBL13709275 0.86 CCR2 (0.40) VDRCCR2HDAC6EPHX2SLC6A9
SCHEMBL13709314 0.86 CCR2 (0.39) VDRCCR2HDAC6EPHX2SLC6A9
SCHEMBL13709273 0.86 CXCR2 (0.33) VDRCCR2HDAC6EPHX2SLC6A9
SCHEMBL13709309 0.85 CXCR2 (0.34) VDRCCR2HDAC6EPHX2SLC6A9
SCHEMBL13709269 0.85 VDR (0.37) VDRS1PR1CCR2CA1CA12
SCHEMBL13709307 0.84 VDR (0.37) VDRS1PR1CCR2CA1CA12
SCHEMBL13709292 0.82 VDR (0.30) VDRCCR2
SCHEMBL13709322 0.81
SCHEMBL13709354 0.81 VDR (0.41) VDRS1PR1CCR2CA1CA12

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 1/4885S1PR1 174/4885CCR2 639/4885

“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.