SCHEMBL13709348

SCHEMBL13709348

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 6/20 0.39
AR P10275 3/20 0.39
EPHX2 P34913 1/20 0.39
HDAC6 Q9UBN7 5/20 0.38
HDAC3 O15379 3/20 0.38
NR1H4 Q96RI1 2/20 0.38
ESRRB O95718 1/20 0.37
ESRRG P62508 1/20 0.37
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CXCR2 P25025 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL13709353 0.83 VDR (0.42) VDRAREPHX2HDAC6HDAC3
SCHEMBL13709346 0.82 VDR (0.49) VDREPHX2HDAC6HDAC3NR1H4
SCHEMBL13709350 0.81 VDR (0.36) VDRAREPHX2HDAC6HDAC3
SCHEMBL13709271 0.81 HDAC6 (0.35) VDRAREPHX2HDAC6HDAC3
SCHEMBL13709306 0.80 CXCR2 (0.35) VDREPHX2HDAC6HDAC3NR1H4
SCHEMBL13712223 0.80 VDR (0.40) VDRARHDAC6HDAC3NR1H4
SCHEMBL13709352 0.80 HDAC6 (0.60) VDRARHDAC6HDAC3
SCHEMBL13709360 0.80 VDR (0.35) VDRAREPHX2HDAC6HDAC3
SCHEMBL5153709 0.78 NPSR1 (0.49) VDRARHDAC6HDAC3NR1H4
SCHEMBL13709273 0.77 CXCR2 (0.33) VDRAREPHX2HDAC6HDAC3

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 1/4885AR 579/4885EPHX2 1424/4885

“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.