SCHEMBL3062239

SCHEMBL3062239

O=C(OCc1cccc(C(F)(F)F)c1)C(c1ccccc1)C(O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
KCNA5 P22460 3/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCHE P06276 3/20 0.43
LRRK2 Q5S007 1/20 0.43
EPHX1 P07099 1/20 0.43
MMP1 P03956 1/20 0.43
MMP12 P39900 1/20 0.43
NR4A2 P43354 2/20 0.42
KCNH2 Q12809 1/20 0.41
VNN1 O95497 1/20 0.41
BACE1 P56817 1/20 0.41
TACR1 P25103 1/20 0.41

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
SCHEMBL3074108 0.92 FFAR1 (0.45) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL3069012 0.90 FFAR1 (0.47) FFAR1PRKCAPRKCDKCNA5KMT2A
SCHEMBL3079305 0.88 FFAR1 (0.42) FFAR1PRKCAPRKCDKCNA5KMT2A
SCHEMBL3062258 0.88 KCNA5 (0.45) FFAR1PRKCAPRKCDKCNA5LMNA
SCHEMBL3075533 0.88 FFAR1 (0.46) FFAR1PRKCAPRKCDKCNA5LMNA
SCHEMBL6309762 0.87 PRKCA (0.46) FFAR1PRKCAPRKCDKCNA5KMT2A
SCHEMBL13093725 0.86 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL13093728 0.86 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL3061843 0.86 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL13093724 0.86 KCNA5 (0.43) FFAR1PRKCAPRKCDKCNA5TDP1

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
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US claimed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP claimed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO claimed
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO claimed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US claimed
US-20100267555-A1 Fungicidal mixtures II BASF SE (DE) 2010-10-21 US disclosed
EP-2222169-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2010-09-01 EP disclosed
WO-2009063075-A2 FUNGICIDAL MIXTURES II BASF SE (DE) 2009-05-22 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR FFAR1 222/4885PRKCA 3943/4885PRKCD 3870/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 FFAR1 556/4885PRKCA 4389/4885PRKCD 4154/4885

“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.