SCHEMBL2947658

SCHEMBL2947658

CCC(CC)(c1ccc(O)c(C)c1)c1ccc(OS(C)(=O)=O)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.56
ESR2 Q92731 6/20 0.56
AR P10275 3/20 0.56
VDR P11473 2/20 0.43

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
SCHEMBL2950878 0.90 ESR1 (0.49) ESR1ESR2ARVDR
SCHEMBL2978686 0.86 ESR1 (0.52) ESR1ESR2ARVDR
SCHEMBL2943406 0.81 ESR1 (0.63) ESR1ESR2ARVDR
SCHEMBL2946246 0.81 ESR1 (0.63) ESR1ESR2ARVDR
SCHEMBL2942389 0.79 ESR1 (0.56) ESR1ESR2ARVDR
SCHEMBL5159443 0.79 ESR1 (0.42) ESR1ESR2AR
SCHEMBL2944976 0.78 VDR (0.68) ARVDR
SCHEMBL2979160 0.77 ESR1 (0.46) ESR1ESR2ARVDR
SCHEMBL1525824 0.75 ESR1 (0.58) ESR1ESR2ARVDR
SCHEMBL837374 0.75 ESR1 (1.00) ESR1ESR2ARVDR

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-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 ESR1 186/4885ESR2 163/4885AR 535/4885

“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.