SCHEMBL2942389

SCHEMBL2942389

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

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.56
ESR2 Q92731 7/20 0.56
VDR P11473 8/20 0.48
AR P10275 6/20 0.46
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41

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
SCHEMBL2949204 0.86 ESR1 (0.56) ESR1ESR2VDRARHDAC6
SCHEMBL2945689 0.84 VDR (0.44) ESR1ESR2VDRARHDAC6
SCHEMBL2950878 0.84 ESR1 (0.49) ESR1ESR2VDRARHDAC6
SCHEMBL2943706 0.79 VDR (0.81) VDRARHDAC6HDAC3
SCHEMBL13236437 0.79 VDR (0.40) VDRARHDAC6HDAC3
SCHEMBL2941251 0.79 VDR (0.67) VDRARHDAC6HDAC3
SCHEMBL2947658 0.79 ESR1 (0.56) ESR1ESR2VDRAR
SCHEMBL13236433 0.78 VDR (0.69) VDRARHDAC6HDAC3
SCHEMBL2942499 0.78 VDR (0.69) VDRARHDAC6HDAC3
SCHEMBL13236423 0.78 VDR (0.69) VDRARHDAC6HDAC3

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 ESR1 186/4885ESR2 163/4885VDR 1/4885

“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.