SCHEMBL13709307

SCHEMBL13709307

CCC(CC)(c1ccc(CCC2(O)CCCCC2)c(C)c1)c1ccc(C(=O)NC(C)C(=O)O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.37
S1PR1 P21453 1/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HDAC3 O15379 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
P2RX7 Q99572 2/20 0.32
CCR2 P41597 1/20 0.32
CA2 P00918 2/20 0.31

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
SCHEMBL13709269 0.99 VDR (0.37) VDRS1PR1HDAC6HDAC3ALDH1A1
SCHEMBL13709311 0.85 VDR (0.39) VDRS1PR1HDAC6HDAC3ALDH1A1
SCHEMBL13709312 0.85 PPARG (0.38) VDRHDAC6PPARGPPARDPPARA
SCHEMBL13709306 0.84 CXCR2 (0.35) VDRHDAC6HDAC3PPARGPPARD
SCHEMBL13709274 0.84 VDR (0.39) VDRS1PR1HDAC6HDAC3ALDH1A1
SCHEMBL13709272 0.83 PPARG (0.38) VDRHDAC6HDAC3PPARGPPARD
SCHEMBL13709271 0.83 HDAC6 (0.35) VDRHDAC6HDAC3PPARGPPARD
SCHEMBL13709334 0.82 HDAC3 (0.32) HDAC6HDAC3
SCHEMBL13709286 0.81 HDAC3 (0.33) HDAC6HDAC3
SCHEMBL13709346 0.80 VDR (0.49) VDRS1PR1HDAC6HDAC3CA1

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 174/4885HDAC6 4464/4885

“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.