SCHEMBL13709346

SCHEMBL13709346

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VDR P11473 9/20 0.49
S1PR1 P21453 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
EPHX2 P34913 1/20 0.36
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
CA2 P00918 2/20 0.34
ESRRB O95718 1/20 0.34
ESRRG P62508 1/20 0.34

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
SCHEMBL13709354 0.83 VDR (0.41) VDRS1PR1HDAC3HDAC6EPHX2
SCHEMBL13709353 0.83 VDR (0.42) VDRHDAC3HDAC6EPHX2NR1H4
SCHEMBL13709348 0.82 VDR (0.39) VDRHDAC3HDAC6EPHX2NR1H4
SCHEMBL13709269 0.81 VDR (0.37) VDRS1PR1HDAC3HDAC6EPHX2
SCHEMBL13709307 0.80 VDR (0.37) VDRS1PR1HDAC3HDAC6CA1
SCHEMBL13709359 0.80 VDR (0.35) VDRHDAC3HDAC6EPHX2
SCHEMBL13709347 0.80 HDAC6 (0.59) VDRHDAC3HDAC6
SCHEMBL13709274 0.79 VDR (0.39) VDRS1PR1HDAC3HDAC6EPHX2
SCHEMBL13709311 0.78 VDR (0.39) VDRS1PR1HDAC3HDAC6EPHX2
SCHEMBL5153709 0.77 NPSR1 (0.49) VDRHDAC3HDAC6NR1H4

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 174/4885HDAC3 1756/4885

“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.