SCHEMBL3765069

SCHEMBL3765069

CCOC(=O)C1CCCC1C(=O)Cc1c(C)cc(OC(F)(F)CF)cc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TLR4 O00206 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
JAK1 P23458 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL1722174 0.84 ALDH1A1 (0.39) ALDH1A1TP53GAACYP2D6CYP2C19
SCHEMBL8708085 0.81 POLB (0.40) ALDH1A1TP53GAAMAPTPOLB
SCHEMBL3174224 0.79 TAS1R3 (0.35) ALDH1A1TP53GAAMAPTTLR4
SCHEMBL8022828 0.79 TP53 (0.39) TP53POLBTAS1R3TAS1R1KDM4E
SCHEMBL2431064 0.78 MAPT (0.35) ALDH1A1TP53GAAMAPTTLR4
SCHEMBL8703906 0.76 POLB (0.39) ALDH1A1GAAMAPTPOLBKDM4E
SCHEMBL1720855 0.73 AGBL2 (0.38) CYP2C19MAPTPOLBTSHRKDM4E
SCHEMBL14382020 0.73 ATM (0.42) ALDH1A1L3MBTL1MAPTTAS1R3TAS1R1
SCHEMBL3765142 0.72 POLB (0.33) POLBTSHR
SCHEMBL2687043 0.72 TAS1R3 (0.36) ALDH1A1TP53GAACYP2D6CYP2C19

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 ALDH1A1 4028/4885TP53 3600/4885GAA 392/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E ALDH1A1 4028/4885TP53 3600/4885GAA 392/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E ALDH1A1 4028/4885TP53 3600/4885GAA 392/4885

“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.