SCHEMBL2945689

SCHEMBL2945689

CCC(CC)(c1ccc(OC)cc1)c1ccc(OS(C)(=O)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 7/20 0.44
HDAC6 Q9UBN7 7/20 0.40
AR P10275 5/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HDAC3 O15379 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2948487 0.86 CSNK2A2 (0.41) VDRARESR1ESR2L3MBTL1
SCHEMBL2942389 0.84 ESR1 (0.56) VDRHDAC6ARESR1ESR2
SCHEMBL2941251 0.80 VDR (0.67) VDRHDAC6ARHDAC3
SCHEMBL9958325 0.80 CA1 (0.45) L3MBTL1ALDH1A1
SCHEMBL2948695 0.80 HDAC6 (0.63) VDRHDAC6ARHDAC3
SCHEMBL13236435 0.79 HDAC6 (0.45) VDRHDAC6ARHDAC3
SCHEMBL13264568 0.79 HDAC6 (0.45) VDRHDAC6ARHDAC3
SCHEMBL13264691 0.78 HDAC6 (0.46) VDRHDAC6AR
SCHEMBL2950878 0.77 ESR1 (0.49) VDRHDAC6ARESR1ESR2
SCHEMBL25955803 0.76 ESR1 (0.54) ARESR1ESR2ALDH1A1

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-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
US-7750184-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
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 VDR 1/4885HDAC6 4192/4885AR 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.