SCHEMBL1721097

SCHEMBL1721097

Cc1cc(OCC(F)(F)F)cc(C)c1C1C(=O)NC2(CCCCC2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
PLA2G7 Q13093 1/20 0.32
BACE1 P56817 6/20 0.32
MGAT2 Q10469 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KMT2A Q03164 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
RAB9A P51151 2/20 0.30
AR P10275 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
SCHEMBL1721701 0.82 MAPT (0.39) MAPTALDH1A1BACE1MGAT2SMN1; SMN2
SCHEMBL6994973 0.82 PDE7A (0.42) ALDH1A1KMT2A
SCHEMBL8652013 0.79 KMT2A (0.40) MAPTGRIN1GRIN2AGRIN2BSMN1; SMN2
SCHEMBL3176738 0.78 PDE7A (0.35) MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL8645554 0.77 KMT2A (0.38) MAPTALDH1A1GRIN1GRIN2AGRIN2B
SCHEMBL1475886 0.77 KMT2A (0.37) MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL12496896 0.76 PDE7A (0.40) MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL3268479 0.76 SPR (0.31)
SCHEMBL1722032 0.75 ALDH1A1 (0.35) MAPTALDH1A1BACE1KMT2A
SCHEMBL3267352 0.75 ACACB (0.33)

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 4028/4885GRIN1 4195/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E MAPT 4568/4885ALDH1A1 4028/4885GRIN1 4195/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E MAPT 4568/4885ALDH1A1 4028/4885GRIN1 4195/4885

“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.