SCHEMBL133522

SCHEMBL133522

CC(=O)Oc1ccc(C2COc3c(ccc(C)c3Br)C2O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
KDM4E B2RXH2 3/20 0.35
GLA P06280 3/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
ACHE P22303 1/20 0.33
PREP P48147 1/20 0.33
ESR1 P03372 2/20 0.33
PGR P06401 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
AR P10275 2/20 0.33
CHRM1 P11229 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A2 P23975 1/20 0.33
ATM Q13315 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
OPRM1 P35372 2/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL4431721 0.89 KDM4E (0.34) LMNAKDM4EGLAALDH1A1GAA
SCHEMBL179234 0.89 KDM4E (0.34) LMNAKDM4EGLAALDH1A1GAA
SCHEMBL2072015 0.83 LMNA (0.37) LMNAKDM4EGLAALDH1A1GAA
SCHEMBL2069335 0.83 LMNA (0.37) LMNAKDM4EGLAALDH1A1GAA
SCHEMBL2071317 0.83 LMNA (0.37) LMNAKDM4EGLAALDH1A1GAA
SCHEMBL2072017 0.83 LMNA (0.37) LMNAKDM4EGLAALDH1A1GAA
SCHEMBL2069704 0.81 MAPK1 (0.43) LMNAKDM4EALDH1A1PREPADORA3
SCHEMBL2070071 0.81 MAPK1 (0.43) LMNAKDM4EALDH1A1PREPADORA3
SCHEMBL2071213 0.81 MAPK1 (0.43) LMNAKDM4EALDH1A1PREPADORA3
SCHEMBL2071215 0.81 MAPK1 (0.43) LMNAKDM4EALDH1A1PREPADORA3

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-20120059176-A1 ANTI-INFLAMMATORY MODALITIES MARSHALL EDWARDS, INC. (US) 2012-03-08 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-20120059176-A1 ANTI-INFLAMMATORY MODALITIES TNF, PTGES, NFKBIA LMNA 2417/4885KDM4E 4165/4885GLA 188/4885

“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.