SCHEMBL13397457

SCHEMBL13397457

CCCC1CC2=CC(=O)CCC2[C@H]2CC[C@]3(C)[C@@H](C)CC[C@H]3[C@H]12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.57
PGR P06401 11/20 0.49
NR3C2 P08235 4/20 0.49
SERPINA6 P08185 2/20 0.47
SLC22A1 O15245 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SHBG P04278 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CYP19A1 P11511 2/20 0.41

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
SCHEMBL7706417 0.88 AR (0.71) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL6836638 0.88 AR (0.71) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL18767879 0.88 AR (0.52) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL25863909 0.84 AR (0.78) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL25863905 0.84 AR (0.78) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL25863841 0.84 AR (0.78) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL25863878 0.84 AR (0.78) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL12884315 0.84 AR (0.78) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL25863881 0.84 AR (0.78) ARPGRNR3C2SERPINA6SLC22A1
SCHEMBL6836735 0.83 LMNA (0.57) ARPGRNR3C2SERPINA6SLC22A1

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-20100105934-A1 FULVESTRANT INTERMEDIATE SYNTHON BV (NL) 2010-04-29 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-20100105934-A1 FULVESTRANT INTERMEDIATE CYP19A1, NR5A1, HSD17B11 AR 4/4885PGR 11/4885NR3C2 43/4885

“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.