SCHEMBL7685097

SCHEMBL7685097

O=C(COC(F)(F)F)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
KLK7 P49862 1/20 0.53
MLYCD O95822 2/20 0.52
RHOC P08134 1/20 0.52
RHOA P61586 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51

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
SCHEMBL6048481 0.83 HPGD (0.63) MAPTHTTHPGDMAPK1ALDH1A1
SCHEMBL433114 0.82 MAPT (0.58) MAPTHTTHPGDALOX12MAPK1
SCHEMBL6388819 0.79 KLK7 (0.58) MAPTHTTHPGDALOX12MAPK1
SCHEMBL20548265 0.79 MEN1 (0.66) MAPTHTTHPGDMAPK1ALDH1A1
SCHEMBL9125307 0.79 ALDH1A1 (0.65) MAPTHTTHPGDALOX12MAPK1
SCHEMBL2217750 0.77 MAPT (0.61) MAPTHTTHPGDALOX12MAPK1
SCHEMBL7685160 0.77 ALDH1A1 (0.60) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL26626237 0.76 HPGD (0.44) MAPTHPGDRHOCRHOAALDH1A1
SCHEMBL4268296 0.76 MAPT (0.59) MAPTHTTHPGDALOX12MAPK1
SCHEMBL3953245 0.76 MAPT (0.59) MAPTHTTHPGDHDAC3HDAC4

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-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides MUSIL TIBOR (GB) 2002-04-18 US disclosed
US-6323155-B1 EXCELLENT LEVEL OF HERBICIDAL ACTIVITY TOGETHER WITH CROP TOLERANCE RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-11-27 US disclosed
EP-0674629-B1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE (GB) 1998-07-08 EP disclosed
EP-0674629-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1995-10-04 EP disclosed
WO-1994014782-A1 4-BENZOYL ISOXAZOLES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1994-07-07 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-20020045551-A1 4-benzoyl isoxazoles derivatives and their use as herbicides CBR3, CBR1, GLRA3 MAPT 4674/4885HTT 2895/4885HPGD 2574/4885

“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.