SCHEMBL3770072

SCHEMBL3770072

Cc1cc(OCC(F)(F)F)cc(C)c1CC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PAX8 Q06710 2/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
SCN9A Q15858 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3763744 0.86 AGBL2 (0.45) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL13191751 0.84 MAPT (0.46) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3765143 0.82 MEN1 (0.41) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL13191727 0.81 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3770067 0.77 FFAR4 (0.32) L3MBTL1
SCHEMBL3771725 0.74 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3763911 0.74 SMN1; SMN2 (0.42) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL7960127 0.74 MAPT (0.52) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL3765518 0.74 MAPT (0.38) MAPTALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL7960061 0.73 MAPT (0.43) MAPTALDH1A1SMN1; SMN2MEN1LMNA

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 MAPT 4568/4885ALDH1A1 4028/4885SMN1; SMN2 4677/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E MAPT 4568/4885ALDH1A1 4028/4885SMN1; SMN2 4677/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E MAPT 4568/4885ALDH1A1 4028/4885SMN1; SMN2 4677/4885

“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.