SCHEMBL5437263

SCHEMBL5437263

CCOC(=O)c1ccc(C(F)(F)F)c(CBr)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL3214818 0.83 CYP1A2 (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL5437481 0.82 CYP1A2 (0.56) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL3214847 0.81 CYP1A2 (0.54) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL5432959 0.80 CYP1A2 (0.53) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL38656054 0.80 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1MAPTNPSR1
SCHEMBL2415294 0.79 CYP1A2 (0.51) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL5437280 0.78 CYP1A2 (0.50) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL5471814 0.77 ALDH1A1 (0.50) CYP1A2KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL5435177 0.77 CYP1A2 (0.49) CYP1A2HDAC3HDAC4HDAC1HDAC6
SCHEMBL5440792 0.75 CYP1A2 (0.47) CYP1A2HDAC3HDAC4HDAC1HDAC6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167631-A1 Novel herbicides Luthy, Christoph (CH) 2007-07-19 US disclosed
EP-1692108-A1 NOVEL HERBICIDES Syngenta Participations AG (CH) 2006-08-23 EP disclosed
WO-2005058830-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO disclosed
WO-2005058831-A1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO disclosed
WO-2005058037-A1 PICOLINYLPYRAZOLES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-06-30 WO 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-20070167631-A1 Novel herbicides DDT, CYP1A1, CYP1B1 CYP1A2 16/4885HDAC3 787/4885HDAC4 1237/4885

“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.