SCHEMBL6466958

SCHEMBL6466958

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

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.68
CFTR P13569 1/20 0.44
PLA2G2A P14555 1/20 0.43
LMNA P02545 1/20 0.43
RAD52 P43351 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6469421 0.81 AR (1.00) ARCFTRPLA2G2ALMNAKDM4E
SCHEMBL6469722 0.81 AR (1.00) ARCFTRPLA2G2ALMNAKDM4E
SCHEMBL6466355 0.80 AR (1.00) ARPLA2G2ALMNAKDM4EMITF
SCHEMBL6469638 0.79 AR (0.83) ARCFTRPLA2G2ALMNAKDM4E
SCHEMBL6469582 0.77 AR (0.79) ARCFTRPLA2G2ALMNAKDM4E
SCHEMBL6469575 0.77 AR (1.00) ARPLA2G2ALMNAMAPTHTT
SCHEMBL6466983 0.77 AR (0.79) ARCFTRPLA2G2ALMNAKDM4E
SCHEMBL6469563 0.77 AR (0.75) ARCFTRPLA2G2ALMNA
SCHEMBL6465329 0.76 AR (1.00) ARLMNAKDM4EMAPTKMT2A
SCHEMBL6464947 0.76 AR (0.76) ARLMNAKMT2A

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 6/4885CFTR 4323/4885PLA2G2A 2489/4885

“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.