SCHEMBL3851376

SCHEMBL3851376

CCC(CC)(c1ccc(O)c(C(C)C)c1)c1cc2cc(C(=O)OC)ccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
THRA P10827 1/20 0.41
LCK P06239 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
XDH P47989 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 4/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 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
SCHEMBL3849821 0.87 ESR1 (0.46) THRBLCKCA12CA1CA2
SCHEMBL3853020 0.86 ESR1 (0.49) THRBLCKCA12CA1CA2
SCHEMBL3851230 0.83 VDR (0.45)
SCHEMBL3851570 0.75 TP53 (0.46) THRBLCKCA12CA1CA2
SCHEMBL3857821 0.75 HDAC6 (0.55) HDAC6
SCHEMBL3850276 0.75 VDR (0.59)
SCHEMBL3855831 0.74 VDR (0.47) THRBTP53POLBKDM4EALDH1A1
SCHEMBL5971976 0.73 THRB (0.41) THRBTHRALCKCA12CA1
SCHEMBL4631757 0.73 RORC (0.48) THRBTHRAHSP90AA1POLBMAPT
SCHEMBL3855199 0.73 VDR (0.47)

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-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-7579488-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-08-25 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070106095-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1687289-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051938-A1 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-20070106095-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 THRB 648/4885THRA 538/4885LCK 4206/4885

“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.