SCHEMBL13709352

SCHEMBL13709352

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

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.60
HDAC3 O15379 3/20 0.60
VDR P11473 11/20 0.55
AR P10275 4/20 0.45
HDAC1 Q13547 1/20 0.42

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
SCHEMBL13709349 0.85 HDAC6 (0.66) HDAC6HDAC3VDRARHDAC1
SCHEMBL4507917 0.84 HDAC6 (0.67) HDAC6HDAC3VDRARHDAC1
SCHEMBL4492612 0.84 HDAC6 (0.61) HDAC6HDAC3VDRAR
SCHEMBL2968567 0.83 HDAC6 (0.63) HDAC6HDAC3VDRARHDAC1
SCHEMBL13709347 0.82 HDAC6 (0.59) HDAC6HDAC3VDRHDAC1
SCHEMBL4507047 0.82 HDAC6 (0.61) HDAC6HDAC3VDR
SCHEMBL2085263 0.80 HDAC3 (0.48) HDAC6HDAC3VDRAR
SCHEMBL13709366 0.80 VDR (0.57) HDAC6HDAC3VDRAR
SCHEMBL13709348 0.80 VDR (0.39) HDAC6HDAC3VDRAR
SCHEMBL13712223 0.79 VDR (0.40) HDAC6HDAC3VDRAR

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 HDAC6 4464/4885HDAC3 1756/4885VDR 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.