SCHEMBL13709271

SCHEMBL13709271

CCC(CC)(c1ccc(CCC2(O)CCCC2)c(C)c1)c1ccc(C(=O)NC(C)(C)C(=O)O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.35
HDAC3 O15379 1/20 0.35
CXCR2 P25025 5/20 0.35
EPHX2 P34913 1/20 0.34
VDR P11473 4/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
NR1H4 Q96RI1 2/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
ESRRB O95718 1/20 0.32
ESRRG P62508 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AR P10275 1/20 0.32
SLC6A9 P48067 1/20 0.32

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
SCHEMBL13709306 0.99 CXCR2 (0.35) HDAC6HDAC3CXCR2EPHX2VDR
SCHEMBL13709272 0.85 PPARG (0.38) HDAC6HDAC3EPHX2VDRPPARG
SCHEMBL13709312 0.84 PPARG (0.38) HDAC6EPHX2VDRPPARGPPARD
SCHEMBL13709269 0.83 VDR (0.37) HDAC6HDAC3EPHX2VDRPPARG
SCHEMBL13709307 0.83 VDR (0.37) HDAC6HDAC3VDRPPARGPPARD
SCHEMBL13709273 0.83 CXCR2 (0.33) HDAC6HDAC3CXCR2EPHX2VDR
SCHEMBL13709309 0.82 CXCR2 (0.34) HDAC6HDAC3CXCR2EPHX2VDR
SCHEMBL13712274 0.82 CXCR2 (0.38) HDAC6CXCR2VDRCYP26A1CYP26B1
SCHEMBL13709283 0.82 HDAC3 (0.33) HDAC6HDAC3VDRAR
SCHEMBL13709332 0.81 HDAC3 (0.33) HDAC6HDAC3VDR

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 1756/4885CXCR2 1040/4885

“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.