SCHEMBL3763896

SCHEMBL3763896

CCc1cc(OCC(F)(F)F)cc(C)c1C1C(=O)NC(C)(C2CC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MMP13 P45452 2/20 0.31
MMP14 P50281 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL1722032 0.86 ALDH1A1 (0.35) BACE1ALDH1A1MAPT
SCHEMBL1721379 0.85
SCHEMBL3596041 0.80 KMT2A (0.33)
SCHEMBL3169698 0.78
SCHEMBL1721701 0.78 MAPT (0.39) BACE1ALDH1A1MAPTMMP13MMP14
SCHEMBL2426125 0.77 ADAM17 (0.30)
SCHEMBL13002793 0.76 MMP13 (0.31) BACE1MMP13MMP14CNR2
SCHEMBL1722580 0.74 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL13002794 0.74 ACACB (0.31) ALDH1A1MMP13MMP14CNR2
SCHEMBL1475659 0.74 ALDH1A1 (0.33) ALDH1A1

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-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
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 US disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 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 (3 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 BACE1 4270/4885ALDH1A1 4028/4885MAPT 4568/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E BACE1 4270/4885ALDH1A1 4028/4885MAPT 4568/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E BACE1 4270/4885ALDH1A1 4028/4885MAPT 4568/4885

“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.