SCHEMBL3850271

SCHEMBL3850271

COC(=O)c1ccc2oc(CCCC(C)c3ccc(OCC(=O)C(C)(C)C)c(C)c3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 9/20 0.39
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
AR P10275 5/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL3859965 0.92 VDR (0.40) VDRTP53AR
SCHEMBL3855827 0.91 TP53 (0.35) VDRTP53POLBTHRBAR
SCHEMBL3851229 0.91 TP53 (0.35) VDRTP53POLBTHRBMAPK1
SCHEMBL5971590 0.87 VDR (0.41) VDRTP53POLBTHRBAR
SCHEMBL3858805 0.85 VDR (0.40) VDRAR
SCHEMBL3855863 0.82 SRD5A2 (0.39) VDRTP53ARHDAC6
SCHEMBL3851369 0.82 TBXAS1 (0.34) VDRTP53SMN1; SMN2HDAC6
SCHEMBL5971650 0.80 VDR (0.41) VDRARMAPK1SMN1; SMN2
SCHEMBL3850267 0.80 VDR (0.42) VDRTP53POLBTHRBAR
SCHEMBL5970911 0.79 SMN1; SMN2 (0.34) VDRTP53POLBTHRBAR

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-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885TP53 2858/4885POLB 4532/4885

“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.