SCHEMBL4630974

SCHEMBL4630974

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

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.53
ESR2 Q92731 7/20 0.53
AR P10275 3/20 0.53
VDR P11473 1/20 0.43
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ESRRG P62508 1/20 0.37

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
SCHEMBL4630973 0.85 ESR1 (0.57) ESR1ESR2ARVDRESRRG
SCHEMBL4632104 0.84 RORC (0.48) ESR1ESR2ARVDR
SCHEMBL14199594 0.83 NPC1 (0.37) ESR1ESR2ARVDRHSD17B1
SCHEMBL4631740 0.79 HDAC6 (0.54) ESR1ARVDR
SCHEMBL4631780 0.79 VDR (0.65) ARVDR
SCHEMBL4632569 0.77 HDAC6 (0.57) ARVDR
SCHEMBL14199410 0.76 HDAC6 (0.44) ARVDR
SCHEMBL4630933 0.72 HDAC6 (0.46) ARVDR
SCHEMBL837374 0.72 ESR1 (1.00) ESR1ESR2ARVDR
SCHEMBL30058620 0.72 ESR1 (1.00) ESR1ESR2ARVDR

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 8 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

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.