SCHEMBL5227796

SCHEMBL5227796

Cn1nc(C(F)(F)F)cc1Oc1cc(F)cc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
TGFBR1 P36897 7/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
ALDH1A1 P00352 2/20 0.40
SCN9A Q15858 1/20 0.35
RAB9A P51151 3/20 0.33
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
NPC1 O15118 2/20 0.33
ALOX5 P09917 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL5216317 0.86 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1SCN9A
SCHEMBL6950881 0.85 ADORA2A (0.44) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5226326 0.85 KMT2A (0.43) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL6281244 0.84 ADORA2A (0.50) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5222977 0.84 KMT2A (0.42) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5221402 0.81 KMT2A (0.47) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL7077095 0.80 KMT2A (0.46) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL3672424 0.80 KMT2A (0.39) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL6532552 0.80 ADORA2A (0.52) KMT2ATGFBR1ADORA2AADORA1ALDH1A1
SCHEMBL5223076 0.78 KMT2A (0.44) KMT2ATGFBR1ADORA2AADORA1ALDH1A1

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 1978/4885TGFBR1 957/4885ADORA2A 1904/4885

“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.