SCHEMBL3074108

SCHEMBL3074108

O=C(OCc1cccc(C(F)(F)F)c1)C(c1ccc(Cl)cc1)C(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 4/20 0.43
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
KCNA5 P22460 1/20 0.42
PPARG P37231 4/20 0.41
CNR1 P21554 3/20 0.41
CNR2 P34972 1/20 0.41
MMP1 P03956 1/20 0.40
MMP12 P39900 1/20 0.40
VNN1 O95497 1/20 0.39
SLC22A12 Q96S37 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
SCHEMBL3062239 0.92 FFAR1 (0.47) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL3069012 0.89 FFAR1 (0.47) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL3062258 0.87 KCNA5 (0.45) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL3061574 0.85 FFAR1 (0.41) FFAR1PRKCAPRKCDKCNA5CNR1
SCHEMBL3079305 0.85 FFAR1 (0.42) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL6309762 0.84 PRKCA (0.46) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL3061843 0.83 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL13093728 0.83 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL13093725 0.83 FFAR1 (0.43) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL13093724 0.82 KCNA5 (0.43) FFAR1CYP3A4PRKCAPRKCDKCNA5

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 7 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
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 222/4885CYP19A1 11/4885CYP3A4 59/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 FFAR1 556/4885CYP19A1 428/4885CYP3A4 74/4885

“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.