SCHEMBL6469768

SCHEMBL6469768

CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(C)n(CCCCOC2CCCCO2)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.64
PRKCZ Q05513 1/20 0.41
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1E Q15878 1/20 0.40
CACNA2D4 Q7Z3S7 1/20 0.40

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
SCHEMBL6468255 0.81 AR (0.71) ARPRKCZMAPTMAPK1
SCHEMBL6464195 0.81 AR (0.74) ARPRKCZMAPTMAPK1
SCHEMBL6468358 0.78 AR (1.00) ARPRKCZCACNB4CACNA1ACACNA1G
SCHEMBL6468328 0.76 AR (0.76) ARPRKCZMAPTMEN1KMT2A
SCHEMBL6467813 0.73 AR (1.00) ARPRKCZMAPT
SCHEMBL6465259 0.73 AR (1.00) ARPRKCZMAPT
SCHEMBL6465329 0.71 AR (1.00) ARMAPTMEN1KMT2A
SCHEMBL6469319 0.71 AR (0.84) ARPRKCZMAPT
SCHEMBL6464439 0.70 AR (0.82) ARPRKCZMAPTMEN1KMT2A
SCHEMBL6469346 0.70 AR (0.71) ARPRKCZMAPTMAPK1

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 6/4885PRKCZ 3138/4885CACNB4 4092/4885

“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.