SCHEMBL2234136

SCHEMBL2234136

CSc1ccc(C(=O)O)c(C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
MCL1 Q07820 1/20 0.34
NOTUM Q6P988 4/20 0.33
CYP1A2 P05177 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
DDR1 Q08345 1/20 0.32
POLB P06746 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL8391850 0.83 RXRA (0.39) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL27262596 0.80 KDM4E (0.40) KDM4EALDH1A1MCL1CYP1A2POLB
SCHEMBL7865093 0.77 MCL1 (0.37) KDM4EALDH1A1MCL1NOTUMCYP1A2
SCHEMBL2235924 0.75 ALDH1A1 (0.39) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL8391701 0.75 NOTUM (0.43) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL27990317 0.75 ALDH1A1 (0.50) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL23581891 0.74 KDM4E (0.51) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL1579844 0.74 NOTUM (0.41) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL8391483 0.72 ALDH1A1 (0.36) RXRARXRBKDM4EALDH1A1HPGD
SCHEMBL2233514 0.72 SOS1 (0.33)

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536277-B1 3-AMINOCARBONYL SUBSTITUTED BENZOYLCYCLOHEXANDIONS AND THEIR APPLICATION AS HERBICIDES BAYER IP GMBH (DE) 2016-01-20 EP disclosed
CN-102781235-B 3-aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG 2015-04-22 CN disclosed
US-8557741-B2 3-aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2013-10-15 US disclosed
EP-2536277-A1 3-AMINOCARBONYL-SUBSTITUTED BENZOYLCYCLOHEXANEDIONES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011101321-A1 3-AMINOCARBONYL-SUBSTITUTED BENZOYLCYCLOHEXANEDIONES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2011-08-25 WO disclosed
US-20110207605-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides BAYER CROPSCIENCE AG (DE) 2011-08-25 US disclosed
CN-1083688-C New herbicides RHONE POULENC AGRICULTURE (GB) 2002-05-01 CN disclosed
US-5856274-A 4-benzoyl isoxazoles and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-05 US disclosed
EP-0625508-B1 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1998-08-19 EP disclosed
EP-0682659-B1 4-Benzoyl isoxazole derivatives, their preparation and their use as herbicides RHONE POULENC AGRICULTURE (GB) 1997-04-16 EP disclosed
EP-0682659-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES. RHONE POULENC AGRICULTURE (GB) 1995-11-22 EP disclosed
EP-0625508-A2 Sulfur-containing derivatives of 2-cyano-1,3-diones and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed
WO-1994018179-A1 4-BENZOYL ISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LTD (GB) 1994-08-18 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 (1 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-20110207605-A1 3-Aminocarbonyl-substituted benzoylcyclohexanediones and their use as herbicides DDT, CBR3, CBR1 RXRA 478/4885RXRB 352/4885KDM4E 1066/4885

“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.