SCHEMBL2946244

SCHEMBL2946244

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)cc1)c1cc(C)c(OS(C)(=O)=O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VDR P11473 14/20 0.57
AR P10275 5/20 0.47
HDAC6 Q9UBN7 2/20 0.44
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2949109 0.89 VDR (0.75) VDRARHDAC6
SCHEMBL2941251 0.89 VDR (0.67) VDRARHDAC6
SCHEMBL2948775 0.84 VDR (0.75) VDRARHDAC6
SCHEMBL2948487 0.80 CSNK2A2 (0.41) VDRARALDH1A1
SCHEMBL2943706 0.80 VDR (0.81) VDRARHDAC6
SCHEMBL2949204 0.79 ESR1 (0.56) VDRARHDAC6
SCHEMBL2943056 0.79 VDR (0.59) VDRAR
SCHEMBL2942518 0.78 VDR (0.58) VDRAR
SCHEMBL2943406 0.76 ESR1 (0.63) VDRAR
SCHEMBL2944976 0.76 VDR (0.68) VDRARHDAC6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-20060293385-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY, AN INDIANA CORPORATION 2006-12-28 US disclosed
EP-1687265-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051898-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-09 WO 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-20060293385-A1 Vitamin d receptor modulators VDR, CYP24A1, CYP2R1 VDR 1/4885AR 535/4885HDAC6 4192/4885

“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.