SCHEMBL3763749

SCHEMBL3763749

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
PTGS2 P35354 7/20 0.43
PTGS1 P23219 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
CASP1 P29466 1/20 0.39
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
FKBP1A P62942 1/20 0.37

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
SCHEMBL3770073 0.87 TDP1 (0.40) TDP1SMN1; SMN2PLA2G1BATG4BCASP1
SCHEMBL3765148 0.84 TDP1 (0.38) TDP1SMN1; SMN2PLA2G1BATG4BCASP1
SCHEMBL7960349 0.81 PTGS2 (0.57) TDP1PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL27349891 0.80 TDP1 (0.47) TDP1PTGS2PTGS1SMN1; SMN2PLA2G1B
SCHEMBL27821001 0.76 TDP1 (0.44) TDP1SMN1; SMN2PLA2G1BATG4BTSHR
SCHEMBL18322479 0.74 PTGS2 (0.42) TDP1PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL8960497 0.73 TRPA1 (0.44) TDP1PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL8960143 0.73 TRPA1 (0.44) TDP1PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL3480424 0.72 TDP1 (0.37) TDP1SMN1; SMN2TSHR
SCHEMBL28745580 0.72 PTGS1 (0.42) TDP1PTGS2PTGS1AKR1C3AKR1C2

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 3861/4885PTGS2 3671/4885PTGS1 3469/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E TDP1 3861/4885PTGS2 3671/4885PTGS1 3469/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E TDP1 3861/4885PTGS2 3671/4885PTGS1 3469/4885

“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.