SCHEMBL1720855

SCHEMBL1720855

Cc1cc(OC(F)(F)CF)cc(C)c1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.38
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 2/20 0.34
SLC26A3 P40879 1/20 0.34
AKR1C2 P52895 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
MCL1 Q07820 2/20 0.33
AKR1C3 P42330 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
FFAR4 Q5NUL3 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
SCHEMBL3770067 0.86 FFAR4 (0.32) PTGS1PTGS2FFAR4
SCHEMBL3765142 0.84 POLB (0.33) POLBPTGS2CYP1A2CYP3A4TSHR
SCHEMBL3763744 0.76 AGBL2 (0.45) AGBL2RXRARXRBRXRGTHRA
SCHEMBL6995163 0.74 AKR1C2 (0.50) RXRARXRBRXRGCYP2C9AKR1C2
SCHEMBL3765069 0.73 ALDH1A1 (0.34) KDM4EPOLBMAPTCYP2C19TSHR
SCHEMBL509440 0.69 KDM4E (0.58) AGBL2KDM4EPOLBMAPTCYP1A2
SCHEMBL2687552 0.69 HTR1D (0.58) AGBL2RXRARXRBRXRGKDM4E
SCHEMBL9780872 0.68 CYP3A4 (0.47) AGBL2THRATHRBKDM4EPOLB
Hydrochloric Acid SCHEMBL2529687 0.68 KDM4E (0.56) AGBL2KDM4EPOLBMAPTCYP1A2
Water SCHEMBL28215001 0.68 KDM4E (0.56) AGBL2KDM4EPOLBMAPTCYP1A2

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 9 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-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
EP-2406216-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Cropscience AG (DE) 2012-01-18 EP disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
WO-2010102758-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER CROPSCIENCE AG (DE) 2010-09-16 WO 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 AGBL2 1432/4885RXRA 2712/4885RXRB 2859/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E AGBL2 1432/4885RXRA 2712/4885RXRB 2859/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E AGBL2 1432/4885RXRA 2712/4885RXRB 2859/4885

“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.