SCHEMBL4630924

SCHEMBL4630924

CCC(O)(CC)COc1ccc(C(CC)(CC)c2ccco2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VDR P11473 14/20 0.58
HDAC3 O15379 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
ESR1 P03372 4/20 0.40
AR P10275 4/20 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
SCHEMBL4630927 0.80 HDAC6 (0.53) VDRHDAC3HDAC6ESR1AR
SCHEMBL4630971 0.76 HDAC6 (0.57) VDRHDAC3HDAC6AR
SCHEMBL4507542 0.76 VDR (0.62) VDRHDAC3HDAC6
SCHEMBL16178304 0.74 HDAC6 (0.76) VDRHDAC3HDAC6AR
SCHEMBL4631740 0.74 HDAC6 (0.54) VDRHDAC3HDAC6ESR1AR
SCHEMBL4507917 0.73 HDAC6 (0.67) VDRHDAC3HDAC6AR
SCHEMBL3395350 0.72 HDAC6 (0.59) VDRHDAC3HDAC6ESR1AR
SCHEMBL16178148 0.72 HDAC6 (1.00) VDRHDAC3HDAC6ESR1
SCHEMBL16183027 0.72 HDAC6 (0.71) VDRHDAC3HDAC6ESR1AR
SCHEMBL13709349 0.71 HDAC6 (0.66) VDRHDAC3HDAC6ESR1AR

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 10 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
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 VDR 1/4885HDAC3 1918/4885HDAC6 4563/4885

“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.