SCHEMBL3770073

SCHEMBL3770073

Cc1cc(OC(F)C(F)F)ccc1C(C)C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
FKBP1A P62942 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CASP1 P29466 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
CARM1 Q86X55 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL3763749 0.87 TDP1 (0.47) TDP1PLA2G1BATG4BFKBP1ASMN1; SMN2
SCHEMBL3765148 0.83 TDP1 (0.38) TDP1PLA2G1BATG4BFKBP1ASMN1; SMN2
SCHEMBL27821001 0.75 TDP1 (0.44) TDP1PLA2G1BATG4BFKBP1ASMN1; SMN2
SCHEMBL7237387 0.74 TRPA1 (0.42) TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL2071123 0.73 TSHR (0.46) TDP1SMN1; SMN2KMT2AMEN1NPSR1
SCHEMBL3480424 0.71 TDP1 (0.37) TDP1SMN1; SMN2KMT2AMEN1KDM4E
SCHEMBL3757635 0.70 POLB (0.35) FKBP1AKMT2AMEN1KDM4EL3MBTL1
SCHEMBL29183237 0.69 SMN1; SMN2 (0.41) TDP1SMN1; SMN2KMT2AMEN1L3MBTL1
SCHEMBL27349891 0.69 TDP1 (0.47) TDP1PLA2G1BATG4BSMN1; SMN2KMT2A
SCHEMBL12883131 0.69 TDP1 (0.48) TDP1PLA2G1BATG4BFKBP1ASMN1; SMN2

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 TDP1 3861/4885PLA2G1B 996/4885ATG4B 1861/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E TDP1 3861/4885PLA2G1B 996/4885ATG4B 1861/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E TDP1 3861/4885PLA2G1B 996/4885ATG4B 1861/4885

“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.