SCHEMBL6469346

SCHEMBL6469346

CCOC(=O)c1ccc(Cn2c(C)c(C(=O)OCC)c(-c3ccc([N+](=O)[O-])cc3)c2C)o1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.71
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 3/20 0.44
PRKCZ Q05513 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL6469319 0.85 AR (0.84) ARALDH1A1GAARAB9AMAPT
SCHEMBL6464439 0.85 AR (0.82) ARALDH1A1MAPTPRKCZ
SCHEMBL6466429 0.84 AR (0.92) AR
SCHEMBL6468233 0.84 AR (0.81) ARALDH1A1MAPTPRKCZ
SCHEMBL6465329 0.83 AR (1.00) ARGAAMAPT
SCHEMBL6466415 0.83 AR (0.79) ARGAAMAPTMAPK1
SCHEMBL6468328 0.83 AR (0.76) ARGAARAB9AMAPTPRKCZ
SCHEMBL6530921 0.82 AR (0.78) ARGAAMAPTMAPK1
SCHEMBL6468354 0.82 AR (0.78) ARALDH1A1MAPTPRKCZ
SCHEMBL6466389 0.82 AR (0.81) ARGAARAB9AMAPTPRKCZ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR AR 6/4885ALDH1A1 2144/4885TSHR 94/4885

“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.