SCHEMBL6469416

SCHEMBL6469416

CCOC(=O)c1c(C)c(Br)c(C)n1Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 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
SCHEMBL6469593 0.84 MAPT (0.43) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL14376101 0.78 MAPT (0.55) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL6466211 0.78 MAPT (0.46) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL23421849 0.77 LMNA (0.51) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL6464447 0.76 AR (0.53) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL13407055 0.75 MAPT (0.52) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL2880340 0.74 MAPT (0.51) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL6469739 0.74 AR (0.52) MAPTKDM4EPKMALDH1A1HTT
SCHEMBL21333242 0.73 MAPT (0.52) MAPTKDM4EPKMALDH1A1POLB
SCHEMBL6466963 0.72 AR (0.49) MAPTALDH1A1POLBHTTL3MBTL1

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 MAPT 4864/4885KDM4E 1858/4885PKM 3131/4885

“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.