SCHEMBL5226326

SCHEMBL5226326

Cn1nc(C(F)(F)F)cc1Oc1cc(F)cc(Oc2cc(C(F)(F)F)n(C)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
TGFBR1 P36897 3/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
SCN9A Q15858 1/20 0.31
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
POLB P06746 1/20 0.30
ATM Q13315 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL3672964 0.90 KMT2A (0.46) KMT2APKMRAB9ATGFBR1ADORA2A
SCHEMBL29980924 0.90 KMT2A (0.41) KMT2APKMRAB9ATGFBR1ADORA2A
SCHEMBL3678419 0.90 KMT2A (0.41) KMT2APKMRAB9ATGFBR1ADORA2A
SCHEMBL29981407 0.90 KMT2A (0.46) KMT2APKMRAB9ATGFBR1ADORA2A
SCHEMBL3672424 0.87 KMT2A (0.39) KMT2APKMRAB9ATGFBR1ADORA2A
SCHEMBL5227796 0.85 KMT2A (0.51) KMT2ARAB9ATGFBR1ADORA2AADORA1
SCHEMBL5216317 0.78 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1SCN9A
SCHEMBL6950881 0.77 ADORA2A (0.44) KMT2ATGFBR1ADORA2AADORA1MAPT
SCHEMBL5227889 0.77 POLB (0.46) KMT2APKMRAB9ANPC1MAPT
SCHEMBL6281244 0.76 ADORA2A (0.50) KMT2APKMRAB9ATGFBR1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866287-B1 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER IP GMBH (DE) 2016-09-21 EP disclosed
EP-1866287-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES Bayer CropScience AG (DE) 2007-12-19 EP disclosed
US-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides BAYER CROPSCIENCE GMBH (DE) 2006-10-05 US disclosed
WO-2006103003-A2 SUBSTITUTED PYRAZOLYL OXYPHENYL DERIVATIVES USED AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2006-10-05 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-20060223709-A1 Substituted pyrazolyloxyphenyl derivatives as herbicides DDT, CBR3, CYP1A1 KMT2A 1978/4885PKM 443/4885RAB9A 1875/4885

“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.