SCHEMBL3852084

SCHEMBL3852084

CCOC(=O)c1cc2cc(C(CC)(CC)c3ccc(O)c(C)c3)cc(C)c2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.51
ESR2 Q92731 6/20 0.51
AR P10275 3/20 0.51
VDR P11473 1/20 0.42
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TLR2 O60603 1/20 0.40
NSD2 O96028 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GRK6 P43250 1/20 0.40
RECQL P46063 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 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
SCHEMBL3853421 0.87 ESR1 (0.52) ESR1ESR2ARVDRMAPT
SCHEMBL3860357 0.87 ESR1 (0.55) ESR1ESR2ARVDR
SCHEMBL3850703 0.85 ESR1 (0.52) ESR1ESR2ARVDRMAPT
SCHEMBL3854377 0.81 VDR (0.65) ARVDR
SCHEMBL3852830 0.80 HDAC4 (0.40) MAPTALDH1A1KDM4ETLR2NSD2
SCHEMBL3849336 0.80 HDAC6 (0.56) ARVDR
SCHEMBL3850755 0.79 VDR (0.55) ARVDRALDH1A1KDM4E
SCHEMBL3850191 0.77 VDR (0.41) ARVDR
SCHEMBL26244631 0.76 L3MBTL1 (0.48) MAPTALDH1A1KDM4ETLR2NSD2
SCHEMBL5973091 0.75 HDAC6 (0.47) ARVDR

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 ESR1 174/4885ESR2 148/4885AR 437/4885

“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.