SCHEMBL6466205

SCHEMBL6466205

Cc1c(C(=O)OC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.79
PLA2G2A P14555 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MITF O75030 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL6469575 0.88 AR (1.00) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6465329 0.87 AR (1.00) ARLMNASMN1; SMN2KMT2AMEN1
SCHEMBL6469722 0.86 AR (1.00) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6466355 0.85 AR (1.00) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469638 0.84 AR (0.83) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6466429 0.83 AR (0.92) ARKMT2AMEN1POLB
SCHEMBL6466434 0.83 AR (0.62) AR
SCHEMBL6466983 0.82 AR (0.79) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6469582 0.82 AR (0.79) ARPLA2G2ALMNATSHRSMN1; SMN2
SCHEMBL6468786 0.81 AR (0.52) ARLMNASMN1; SMN2KMT2AMEN1

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-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

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 6/4885PLA2G2A 2489/4885LMNA 4715/4885

“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.