SCHEMBL2085206

SCHEMBL2085206

CCC(CC)(c1ccc(OCC(O)C(C)(C)C)c(C)c1)c1ccc2cc(C(=O)NCC(=O)O)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 9/20 0.62
HDAC6 Q9UBN7 10/20 0.55
HDAC3 O15379 3/20 0.55
HDAC1 Q13547 1/20 0.55
AR P10275 4/20 0.52

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
SCHEMBL2081448 0.93 VDR (0.62) VDRHDAC6HDAC3HDAC1AR
SCHEMBL2083232 0.88 HDAC6 (0.59) VDRHDAC6HDAC3HDAC1AR
SCHEMBL12844910 0.88 VDR (0.48) VDRHDAC6HDAC3HDAC1AR
SCHEMBL2083670 0.86 VDR (0.60) VDRAR
SCHEMBL2083397 0.85 VDR (0.60) VDRHDAC6HDAC3HDAC1AR
SCHEMBL13785970 0.85 VDR (0.65) VDRHDAC6HDAC3HDAC1AR
SCHEMBL14445480 0.84 VDR (0.59) VDRHDAC6HDAC3HDAC1AR
SCHEMBL2084614 0.84 HDAC6 (0.56) VDRHDAC6HDAC3HDAC1AR
SCHEMBL13203746 0.83 VDR (0.70) VDRHDAC6HDAC3HDAC1AR
SCHEMBL2963724 0.83 VDR (0.70) VDRHDAC6HDAC3HDAC1AR

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-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-7897789-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2011-03-01 US disclosed
US-20100076065-A1 VITAMIN D RECEPTOR MODULATORS LU JIANLIANG 2010-03-25 US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1687292-B1 VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-22 EP disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 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 (2 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-20100076065-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC6 4364/4885HDAC3 1738/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 VDR 1/4885HDAC6 4364/4885HDAC3 1738/4885

“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.