SCHEMBL6464508

SCHEMBL6464508

CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.67
HTT P42858 4/20 0.63
KMT2A Q03164 5/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 5/20 0.52
MAPT P10636 6/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TDP2 O95551 1/20 0.48

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
SCHEMBL31567897 0.85 AR (0.67) ARHTTKMT2AALDH1A1POLB
SCHEMBL31567898 0.85 LMNA (0.72) ARHTTKMT2AALDH1A1POLB
SCHEMBL31567903 0.85 LMNA (0.72) ARHTTKMT2AALDH1A1POLB
SCHEMBL6466270 0.82 AR (0.63) ARHTTKMT2AALDH1A1POLB
SCHEMBL2903730 0.81 AR (1.00) ARHTTKMT2AALDH1A1POLB
SCHEMBL6197354 0.80 AR (0.54) ARHTTKMT2AALDH1A1POLB
SCHEMBL31567896 0.78 AR (0.58) ARHTTKMT2AALDH1A1POLB
SCHEMBL31567899 0.78 AR (0.58) ARHTTKMT2AALDH1A1POLB
SCHEMBL28481120 0.77 ADORA2B (0.60) ARHTTKMT2ALMNAMAPT
SCHEMBL29016217 0.76 LMNA (0.46) ARHTTKMT2AALDH1A1LMNA

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 6/4885HTT 3428/4885KMT2A 2015/4885

“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.