SCHEMBL1721701

SCHEMBL1721701

Cc1cc(OCC(F)(F)F)cc(C)c1C1C(=O)NC(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 3/20 0.34
MMP13 P45452 2/20 0.32
MMP14 P50281 1/20 0.32
LMNA P02545 4/20 0.32
HTT P42858 3/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
PAX8 Q06710 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPSR1 Q6W5P4 2/20 0.30
CNR2 P34972 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 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
SCHEMBL1722032 0.92 ALDH1A1 (0.35) MAPTALDH1A1BACE1LMNAMEN1
SCHEMBL1721097 0.82 MAPT (0.35) MAPTALDH1A1BACE1HCRTR1HCRTR2
SCHEMBL1721698 0.81
SCHEMBL3763896 0.78 BACE1 (0.33) MAPTALDH1A1BACE1MMP13MMP14
SCHEMBL8648027 0.76 GRIN2D (0.35) ALDH1A1
SCHEMBL1722031 0.74
SCHEMBL3180158 0.73
SCHEMBL3183590 0.73
SCHEMBL1721297 0.73
SCHEMBL3765473 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 EP disclosed
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
EP-2406216-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Cropscience AG (DE) 2012-01-18 EP disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
WO-2010102758-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER CROPSCIENCE AG (DE) 2010-09-16 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 (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 MAPT 4568/4885ALDH1A1 4028/4885BACE1 4270/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E MAPT 4568/4885ALDH1A1 4028/4885BACE1 4270/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E MAPT 4568/4885ALDH1A1 4028/4885BACE1 4270/4885

“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.