SCHEMBL13002829

SCHEMBL13002829

Cc1cc(OCC(F)(F)F)cc(C)c1C1=C(O)C2CCCN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 8/20 0.39
▸ GABRB3 P28472 8/20 0.39
▸ GABRA5 P31644 7/20 0.39
▸ GABRA3 P34903 6/20 0.39
▸ GABRA1 P14867 6/20 0.39
▸ GABRA2 P47869 5/20 0.39
▸ GABRA4 P48169 4/20 0.39
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ GABRA6 Q16445 4/20 0.37
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PRCP P42785 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ LIPE Q05469 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL13002772 0.97 HTR2A (0.37) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13059536 0.80 HTR2A (0.35) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13002769 0.77 GABRG2 (0.35) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13527244 0.75 CDK5 (0.33) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL13002674 0.75 ALDH1A1 (0.33) DRD2DRD3LIPEMEN1CYP1A2
SCHEMBL13168007 0.74 HTR2A (0.37) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL10309275 0.73 LIPG (0.38) HTR2AHTR2CHTR2BKMT2A
SCHEMBL13255364 0.73 HTR2A (0.43) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL8574774 0.71 KMT2A (0.33) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL13168017 0.70 HTR2A (0.36) HTR2AHTR2CHTR2BMEN1CYP1A2

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 13 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-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-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-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-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
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 GABRG2 3747/4885GABRB3 3630/4885GABRA5 3724/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E GABRG2 3747/4885GABRB3 3630/4885GABRA5 3724/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E GABRG2 3747/4885GABRB3 3630/4885GABRA5 3724/4885

“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.

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