SCHEMBL3850191

SCHEMBL3850191

CCOC(=O)c1cc2cc(C(CC)(CC)c3ccc(OCC4(C(C)(C)C)OCCO4)c(C)c3)cc(C)c2o1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 8/20 0.41
HDAC6 Q9UBN7 9/20 0.37
HDAC3 O15379 4/20 0.37
AR P10275 3/20 0.36
HDAC1 Q13547 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
SCHEMBL3850224 0.91 VDR (0.43) VDRHDAC6HDAC3ARHDAC1
SCHEMBL3859474 0.89 VDR (0.41) VDRHDAC6HDAC3ARHDAC1
SCHEMBL5971899 0.85 VDR (0.41) VDRHDAC6HDAC3HDAC1
SCHEMBL2083320 0.83 VDR (0.42) VDRHDAC6HDAC3ARHDAC1
SCHEMBL3854377 0.82 VDR (0.65) VDRHDAC6HDAC3AR
SCHEMBL3849336 0.81 HDAC6 (0.56) VDRHDAC6HDAC3ARHDAC1
SCHEMBL3852084 0.77 ESR1 (0.51) VDRAR
SCHEMBL3850755 0.76 VDR (0.55) VDRAR
SCHEMBL13712132 0.76 VDR (0.40) VDRHDAC6HDAC3ARHDAC1
SCHEMBL3851332 0.74 GNRHR (0.33) 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 8 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-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
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
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 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 1/4885HDAC6 4352/4885HDAC3 1488/4885

“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.