SCHEMBL13709368

SCHEMBL13709368

CCC(O)(CC)COc1ccc(C(CC)(CC)c2ccc(C(=O)N(C)C(C)C(=O)O)c(C)c2)cc1C

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
VDR P11473 12/20 0.54
AR P10275 2/20 0.39
HDAC1 Q13547 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL13709370 0.86 HDAC6 (0.63) HDAC3HDAC6VDRARESR1
SCHEMBL13709374 0.84 VDR (0.40) HDAC3HDAC6VDRARHDAC1
SCHEMBL13709369 0.83 HDAC6 (0.57) HDAC3HDAC6VDRARESR1
SCHEMBL13709365 0.83 HDAC3 (0.34) HDAC3HDAC6VDRARESR1
SCHEMBL13709366 0.82 VDR (0.57) HDAC3HDAC6VDRAR
SCHEMBL4507917 0.82 HDAC6 (0.67) HDAC3HDAC6VDRARHDAC1
SCHEMBL13709347 0.80 HDAC6 (0.59) HDAC3HDAC6VDRHDAC1
SCHEMBL13709359 0.80 VDR (0.35) HDAC3HDAC6VDRARESR1
SCHEMBL13709377 0.79 ESR1 (0.34) HDAC3HDAC6VDRARESR1
SCHEMBL13709294 0.78 PPARA (0.38) HDAC3HDAC6VDRARHDAC1

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 HDAC3 1756/4885HDAC6 4464/4885VDR 1/4885

“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.