SCHEMBL4631740

SCHEMBL4631740

CCC(O)(CC)COc1ccc(C(CC)(CC)c2ccc(C(=O)N(C)C)o2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.54
HDAC3 O15379 3/20 0.54
VDR P11473 12/20 0.51
ESR1 P03372 2/20 0.42
AR P10275 2/20 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
SCHEMBL4630971 0.88 HDAC6 (0.57) HDAC6HDAC3VDRAR
SCHEMBL4631780 0.84 VDR (0.65) VDRAR
SCHEMBL4632569 0.82 HDAC6 (0.57) HDAC6HDAC3VDRAR
SCHEMBL14199410 0.82 HDAC6 (0.44) HDAC6HDAC3VDRAR
SCHEMBL13709370 0.81 HDAC6 (0.63) HDAC6HDAC3VDRESR1AR
SCHEMBL4630974 0.79 ESR1 (0.53) VDRESR1AR
SCHEMBL14199594 0.76 NPC1 (0.37) HDAC6HDAC3VDRESR1AR
SCHEMBL4632300 0.75 VDR (0.64) HDAC6HDAC3VDRAR
SCHEMBL4630924 0.74 VDR (0.58) HDAC6HDAC3VDRESR1AR
SCHEMBL4630933 0.73 HDAC6 (0.46) HDAC6HDAC3VDRAR

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
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 HDAC6 4563/4885HDAC3 1918/4885VDR 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.