SCHEMBL15440595

SCHEMBL15440595

CN(C)C(=O)Cc1ccc(OC(F)(F)CF)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALOX5 P09917 3/20 0.41
CYP2C9 P11712 1/20 0.40
GRIA2 P42262 1/20 0.40
PCNA P12004 1/20 0.39
CCR5 P51681 1/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
NPY5R Q15761 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
SCHEMBL15440596 0.77 ALOX5 (0.49) HDAC4HDAC6ALOX5CYP2C9GRIA2
SCHEMBL3765142 0.77 POLB (0.33) PCNAMEN1KMT2APPARA
SCHEMBL755827 0.75 HTT (0.59) ALOX5SMN1; SMN2SIGMAR1
SCHEMBL6466370 0.74 MAPT (0.34) MEN1KMT2A
SCHEMBL18388186 0.74 HDAC4 (0.54) HDAC4HDAC6CYP2C9GRIA2CCR5
SCHEMBL15386974 0.74 ALOX5 (0.47) HDAC4HDAC6ALOX5PCNALTB4R
SCHEMBL19091716 0.74 ALDH1A1 (0.57) ALOX5LTB4RLTB4R2SMN1; SMN2
SCHEMBL15386986 0.72 LMNA (0.50) ALOX5PCNALTB4RLTB4R2
SCHEMBL10048247 0.71 SMN1; SMN2 (0.66) ALOX5LTB4RLTB4R2SMN1; SMN2NPY5R
SCHEMBL14959151 0.71 TDP1 (0.62) HDAC4HDAC6KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 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 (2 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-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E HDAC4 1435/4885HDAC6 1929/4885ALOX5 1732/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E HDAC4 1435/4885HDAC6 1929/4885ALOX5 1732/4885

“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.