SCHEMBL6468786

SCHEMBL6468786

Cc1c(C(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.52
PPARG P37231 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
SLC29A1 Q99808 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSPB1 P04792 1/20 0.35

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
SCHEMBL6467848 0.89 AR (0.66) ARMAPTALDH1A1
SCHEMBL6469678 0.83 PTGDR2 (0.41) ARPPARGPTGDR2MAPTSMN1; SMN2
SCHEMBL6466205 0.81 AR (0.79) ARPTGDR2MEN1MAPTHTT
SCHEMBL6469667 0.77 AR (0.74) ARMEN1MAPTKMT2AGAA
SCHEMBL6468233 0.75 AR (0.81) ARMAPTHTTALDH1A1LMNA
SCHEMBL6468351 0.73 AR (0.62) ARPPARGPTGDR2SLC29A1MEN1
SCHEMBL6466975 0.72 AR (0.49) ARPPARGPTGDR2MAPTSMN1; SMN2
SCHEMBL6468262 0.71 AR (0.77) ARMAPTSMN1; SMN2GAAALDH1A1
SCHEMBL6469575 0.69 AR (1.00) ARMEN1MAPTHTTKMT2A
SCHEMBL6468328 0.69 AR (0.76) ARMEN1MAPTHTTKMT2A

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 6/4885PPARG 269/4885PTGDR2 150/4885

“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.