SCHEMBL15440596

SCHEMBL15440596

CN(C)C(=O)Cc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PAX8 Q06710 1/20 0.46
CACNA1G O43497 2/20 0.44
CACNA1H O95180 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
CNR2 P34972 1/20 0.44
KCNH2 Q12809 1/20 0.44
LTB4R Q15722 3/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
CYP2C9 P11712 2/20 0.43
GRIA2 P42262 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL19091716 0.82 ALDH1A1 (0.57) ALOX5SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL964774 0.80 RXRA (0.50) SMN1; SMN2NPC1RAB9ACACNA1GCACNA1H
SCHEMBL31481246 0.79 CA2 (0.48) LMNAMAOBCYP1A2
SCHEMBL18388186 0.78 HDAC4 (0.54) HDAC4HDAC6KCNH2CYP2C9GRIA2
SCHEMBL15440595 0.77 HDAC4 (0.44) ALOX5HDAC4HDAC6SMN1; SMN2MEN1
SCHEMBL755827 0.76 HTT (0.59) ALOX5SMN1; SMN2ALDH1A1
SCHEMBL2004344 0.76 ALOX5 (0.50) ALOX5HDAC6SMN1; SMN2LTB4RLTB4R2
SCHEMBL926743 0.76 ALOX5 (0.50) ALOX5HDAC6SMN1; SMN2LTB4RLTB4R2
SCHEMBL3765143 0.76 MEN1 (0.41) SMN1; SMN2NPC1RAB9AMEN1LMNA
SCHEMBL8987868 0.76 NPC1 (0.38) ALOX5HDAC4HDAC6SMN1; SMN2NPC1

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 ALOX5 1732/4885HDAC4 1435/4885HDAC6 1929/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E ALOX5 1732/4885HDAC4 1435/4885HDAC6 1929/4885

“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.