SCHEMBL6802264

SCHEMBL6802264

O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1ccc(Cl)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 7/20 0.42
BCAT1 P54687 7/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.39
DAO P14920 2/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
DDR1 Q08345 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL8525560 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMEN1NPC1
SCHEMBL10696215 0.77 HSP90AA1 (0.43) BCAT2BCAT1ALDH1A1KDM4EKMT2A
SCHEMBL8820735 0.75 ALDH1A1 (0.43) BCAT2BCAT1ALDH1A1KDM4EKMT2A
SCHEMBL7471937 0.71 BCAT1 (0.40) BCAT2BCAT1ALDH1A1KDM4EKMT2A
SCHEMBL8820721 0.70 ALDH1A1 (0.41) BCAT2BCAT1ALDH1A1KDM4EKMT2A
SCHEMBL8612009 0.69 BCAT2 (0.41) BCAT2BCAT1ALDH1A1KDM4EKMT2A
SCHEMBL8818440 0.68 BCAT1 (0.50) BCAT2BCAT1ALDH1A1KDM4EDDR1
SCHEMBL9237639 0.68 MAOB (0.44) BCAT2BCAT1KMT2A
SCHEMBL8616946 0.68 ALDH1A1 (0.39) BCAT2BCAT1ALDH1A1KDM4EKMT2A
SCHEMBL8566733 0.68 ALDH1A1 (0.57) BCAT2BCAT1ALDH1A1KDM4EKMT2A

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-20040029734-A1 Fused-benzene derivatives useful as herbicides ISHIHARA SANGYO KAISHA, LTD. 2004-02-12 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-20040029734-A1 Fused-benzene derivatives useful as herbicides DDT, NQO2, DHRS9 BCAT2 1667/4885BCAT1 2069/4885ALDH1A1 1879/4885

“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.