SCHEMBL3075533

SCHEMBL3075533

O=C(OCc1cccc(C(F)(F)F)c1)C(Cc1ccccc1)C(O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ACP3 P15309 1/20 0.43
KCNA5 P22460 3/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KCNH2 Q12809 1/20 0.42
BACE1 P56817 2/20 0.41
LRRK2 Q5S007 1/20 0.41
BCHE P06276 1/20 0.41
TACR1 P25103 1/20 0.41
GPR132 Q9UNW8 1/20 0.41
EPHX1 P07099 1/20 0.41
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41
FFAR4 Q5NUL3 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
SCHEMBL3075512 0.89 FFAR1 (0.41) FFAR1PRKCAPRKCDKCNA5KCNH2
SCHEMBL3062239 0.88 FFAR1 (0.47) FFAR1PRKCAPRKCDKCNA5LMNA
SCHEMBL3076912 0.88 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5LMNA
SCHEMBL3067447 0.87 TDP1 (0.43) FFAR1PRKCAPRKCDKCNA5TDP1
SCHEMBL3062327 0.87 NPC1 (0.43) FFAR1PRKCAPRKCDKCNA5KCNH2
SCHEMBL6309762 0.85 PRKCA (0.46) FFAR1PRKCAPRKCDKCNA5KMT2A
SCHEMBL3066645 0.84 KCNA5 (0.43) FFAR1PRKCAPRKCDKCNA5LRRK2
SCHEMBL3071472 0.84 FFAR1 (0.41) FFAR1PRKCAPRKCDKCNA5KMT2A
SCHEMBL3069083 0.84 KCNA5 (0.44) FFAR1PRKCAPRKCDKCNA5LRRK2
SCHEMBL3065993 0.83 CYP19A1 (0.41) FFAR1PRKCAPRKCDKCNA5MMP1

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 8 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
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
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 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.