SCHEMBL13059522

SCHEMBL13059522

Cc1cc(COC(F)(F)F)cc(C)c1-c1c(O)c(C)c(-c2ccccc2)oc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
MAPT P10636 3/20 0.34
AR P10275 4/20 0.34
KDM4E B2RXH2 2/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
KMT2A Q03164 3/20 0.33
MAOB P27338 2/20 0.33
NPC1 O15118 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 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
SCHEMBL13002777 0.88 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL18724350 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13059519 0.83 ALDH1A1 (0.32) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL1721865 0.80 MAPT (0.38) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13002776 0.72 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL18724347 0.72 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7219386 0.68 MAPT (0.46) ALDH1A1CYP2C19TDP1MAPTKDM4E
SCHEMBL7223514 0.65 MAOA (0.41) ALDH1A1TSHRMAPTKDM4EKMT2A
SCHEMBL3176584 0.65 MAOA (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL13191748 0.64 ABCB1 (0.31)

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 10 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-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 4028/4885CYP3A4 664/4885CYP2C9 804/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E ALDH1A1 4028/4885CYP3A4 664/4885CYP2C9 804/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E ALDH1A1 4028/4885CYP3A4 664/4885CYP2C9 804/4885

“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.