SCHEMBL4630973

SCHEMBL4630973

CCC(CC)(c1ccc(O)c(C)c1)c1ccc(C(=O)O)o1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 18/20 0.57
ESR2 Q92731 8/20 0.57
AR P10275 3/20 0.57
VDR P11473 1/20 0.45
ESRRG P62508 1/20 0.39

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
SCHEMBL4630974 0.85 ESR1 (0.53) ESR1ESR2ARVDRESRRG
SCHEMBL4664282 0.83 RORC (0.51) ESR1ESR2AR
SCHEMBL3860357 0.76 ESR1 (0.55) ESR1ESR2ARVDR
SCHEMBL837374 0.75 ESR1 (1.00) ESR1ESR2ARVDR
SCHEMBL30058620 0.75 ESR1 (1.00) ESR1ESR2ARVDR
SCHEMBL11346568 0.72 ESR1 (0.66) ESR1ESR2ARVDR
SCHEMBL3858489 0.71 ESR1 (0.51) ESR1ESR2ARVDR
SCHEMBL4630940 0.71 TDP1 (0.44) ESR1ESR2
SCHEMBL5971437 0.71 ESR1 (0.81) ESR1ESR2ARVDR
SCHEMBL27782251 0.71 TDP1 (0.44) ESR1ESR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
US-7468449-B2 Phenyl-furan compounds as vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2008-12-23 US disclosed
EP-1692123-B1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS LILLY CO ELI (US) 2008-05-28 EP disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1692123-A1 PHENYL-FURAN COMPOUNDS AS VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-23 EP disclosed
WO-2005051936-A1 PHENYL-FURAN COMPOUNDS AS 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-20070105951-A1 Phenyl-furan compounds as vitamin d receptor modulators VDR, CYP24A1, CYP2R1 ESR1 130/4885ESR2 142/4885AR 509/4885

“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.