SCHEMBL6469353

SCHEMBL6469353

COC(=O)c1c(C)[nH]c(C)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
KMT2A Q03164 3/20 0.71
POLB P06746 1/20 0.71
LMNA P02545 2/20 0.67
MEN1 O00255 2/20 0.61
GAA P10253 2/20 0.61
HTT P42858 2/20 0.61
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.50
AR P10275 1/20 0.46
CISD2 Q8N5K1 1/20 0.43
NR4A2 P43354 1/20 0.42
CFTR P13569 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GPR35 Q9HC97 1/20 0.39
KIF11 P52732 2/20 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
SCHEMBL6468333 0.86 KMT2A (0.62) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6469553 0.84 KMT2A (0.77) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6464519 0.82 ALDH1A1 (0.79) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6469579 0.82 ALDH1A1 (0.79) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6468908 0.81 LMNA (0.94) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6466951 0.79 ALDH1A1 (0.75) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6465905 0.79 ALDH1A1 (0.75) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6466860 0.78 ALDH1A1 (0.73) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6465316 0.78 ALDH1A1 (0.73) ALDH1A1KMT2APOLBLMNAMEN1
SCHEMBL6469771 0.78 ALDH1A1 (0.73) ALDH1A1KMT2APOLBLMNAMEN1

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 ALDH1A1 2144/4885KMT2A 2015/4885POLB 3507/4885

“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.