SCHEMBL6469333

SCHEMBL6469333

Cc1c(C(=O)OC(C)C)c(-c2ccc(C#N)cc2)c(C)n1Cc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.66
PTGDR2 Q9Y5Y4 2/20 0.40
GRM1 Q13255 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6464888 0.90 AR (0.77) ARPTGDR2
SCHEMBL6469303 0.89 AR (0.67) AR
SCHEMBL6889299 0.87 AR (0.72) ARPTGDR2
SCHEMBL6465272 0.80 AR (1.00) ARALDH1A1
SCHEMBL6464361 0.80 AR (0.59) ARMEN1ALDH1A1RAB9AKMT2A
SCHEMBL6468830 0.78 AR (0.80) ARPTGDR2MEN1KMT2A
SCHEMBL6468911 0.77 AR (1.00) ARALDH1A1
SCHEMBL6464828 0.77 AR (0.77) ARPTGDR2ALDH1A1
SCHEMBL6466418 0.77 AR (0.80) ARALDH1A1
SCHEMBL6465312 0.76 AR (0.89) ARPTGDR2MEN1HTTKMT2A

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 6/4885PTGDR2 150/4885GRM1 543/4885

“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.