SCHEMBL4492255

SCHEMBL4492255

CCC(CC)(c1ccc(OCC(=O)C(C)C)c(C)c1)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
VDR P11473 8/20 0.55
FFAR4 Q5NUL3 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
HDAC6 Q9UBN7 5/20 0.48
HDAC3 O15379 4/20 0.48
AR P10275 2/20 0.48
HDAC1 Q13547 1/20 0.47

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
SCHEMBL4507201 0.88 VDR (0.60) VDRFFAR4MRGPRX4NR1H4HDAC6
SCHEMBL4501862 0.85 HDAC6 (0.57) VDRFFAR4MRGPRX4HDAC6HDAC3
SCHEMBL2950747 0.82 MRGPRX4 (0.55) VDRFFAR4MRGPRX4
SCHEMBL4502333 0.81 VDR (0.52) VDRFFAR4MRGPRX4HDAC6HDAC3
SCHEMBL2971918 0.81 VDR (0.52) VDRFFAR4MRGPRX4AR
SCHEMBL2972327 0.80 ESR1 (0.59) VDRFFAR4MRGPRX4AR
SCHEMBL4494748 0.80 VDR (0.50) VDRFFAR4MRGPRX4HDAC6HDAC3
SCHEMBL4507970 0.79 VDR (0.49) VDRFFAR4MRGPRX4
SCHEMBL13786207 0.79 HDAC6 (0.74) VDRHDAC6HDAC3ARHDAC1
SCHEMBL2945680 0.79 FFAR4 (0.50) VDRFFAR4MRGPRX4HDAC6HDAC3

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-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595345-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 US disclosed
EP-1687258-A2 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051893-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-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 VDR 1/4885FFAR4 24/4885MRGPRX4 285/4885

“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.