SCHEMBL12764482

SCHEMBL12764482

CCC(O)(/C=C/c1ccc(C(CC)(CC)c2cc(C)c(C)c(C)c2)cc1C)CC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 5/20 0.44
AR P10275 3/20 0.44
VDR P11473 10/20 0.40
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL1524176 0.90 ESR1 (0.57) ESR1ESR2ARVDR
SCHEMBL1524180 0.90 ESR1 (0.57) ESR1ESR2ARVDR
SCHEMBL12764233 0.90 ESR1 (0.45) ESR1ESR2ARVDRHDAC3
SCHEMBL12764486 0.88 ESR1 (0.44) ESR1ESR2ARVDR
SCHEMBL1524862 0.87 ESR1 (0.56) ESR1ESR2ARVDR
SCHEMBL1525163 0.87 ESR1 (0.63) ESR1ESR2ARVDR
SCHEMBL1525162 0.87 ESR1 (0.63) ESR1ESR2ARVDR
SCHEMBL1524865 0.87 ESR1 (0.56) ESR1ESR2ARVDR
SCHEMBL5158963 0.83 ESR1 (0.39) ESR1ESR2ARVDRHDAC3
SCHEMBL5158971 0.83 ESR1 (0.39) ESR1ESR2ARVDRHDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-03-10 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-20110060146-A1 VITAMIN-D-LIKE COMPOUNDS VDR, CYP24A1, CYP2R1 ESR1 1899/4885ESR2 2002/4885AR 35/4885

“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.