SCHEMBL1780645

SCHEMBL1780645

CCC(CCc1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc2ccc(C(=O)OC)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VDR P11473 15/20 0.43
AR P10275 6/20 0.41
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL5500728 0.96 VDR (0.43) VDRARBCHEACHE
SCHEMBL5503357 0.94 VDR (0.43) VDRAR
SCHEMBL6263233 0.91 VDR (0.47) VDRAR
SCHEMBL6227184 0.89 VDR (0.47) VDRAR
SCHEMBL5509032 0.88 VDR (0.45) VDRAR
SCHEMBL5499834 0.88 VDR (0.44) VDRAR
SCHEMBL5505759 0.88 VDR (0.44) VDRAR
SCHEMBL5507815 0.85 VDR (0.45) VDRAR
SCHEMBL5971588 0.84 VDR (0.41) VDRAR
SCHEMBL5503318 0.84 VDR (0.44) VDRAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943795-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-05-17 US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 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-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 VDR 1/4885AR 95/4885BCHE 4795/4885

“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.