SCHEMBL3104042

SCHEMBL3104042

C=C(C(=O)OCc1cccc(OC(F)(F)F)c1)C(O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
GPR132 Q9UNW8 3/20 0.43
NAMPT P43490 2/20 0.42
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 1/20 0.42
FFAR1 O14842 1/20 0.42
GRM2 Q14416 2/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
IDO1 P14902 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CETP P11597 1/20 0.39
NPY5R Q15761 1/20 0.39
CTSA P10619 1/20 0.38

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
SCHEMBL3109119 0.89 NPC1 (0.43) KCNH2GPR132NAMPTFFAR1CYP19A1
SCHEMBL3106146 0.87 FFAR1 (0.46) KCNA5FFAR1IDO1
SCHEMBL3103497 0.84 RORC (0.45) GPR132FFAR1
SCHEMBL3101778 0.84 FAAH (0.49) GPR132FFAR1
SCHEMBL3109020 0.81 TRPV1 (0.45) GPR132FFAR1
SCHEMBL3109428 0.81 RORC (0.41) GPR132FFAR1
SCHEMBL4498439 0.80 CTSA (0.51) ROCK2ROCK1FFAR1CYP19A1CYP11B1
SCHEMBL3101528 0.80 CNR2 (0.43) KDM4CNAMPTROCK2FFAR1IDO1
SCHEMBL3103227 0.79 FAAH (0.47) GPR132SGMS2
SCHEMBL3103554 0.78 LMNA (0.43) KDM4CGPR132NAMPT

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
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 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 (2 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 KDM5A 2355/4885KDM4C 550/4885KDM5B 2778/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 KDM5A 620/4885KDM4C 297/4885KDM5B 365/4885

“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.