SCHEMBL3069012

SCHEMBL3069012

COc1ccc(C(C(=O)OCc2cccc(C(F)(F)F)c2)C(O)c2cccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
MAOB P27338 2/20 0.42
SCD O00767 1/20 0.41
SLC2A1 P11166 1/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NR4A2 P43354 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
KCNA5 P22460 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPBWR1 P48145 1/20 0.40

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 0.90 FFAR1 (0.47) FFAR1NR4A2PRKCAPRKCDKCNA5
SCHEMBL3074108 0.89 FFAR1 (0.45) FFAR1PRKCAPRKCDKCNA5MMP1
SCHEMBL6309762 0.84 PRKCA (0.46) FFAR1MAOBMAPTNR4A2PRKCA
SCHEMBL3079305 0.83 FFAR1 (0.42) FFAR1NR4A2PRKCAPRKCDKCNA5
SCHEMBL3061843 0.81 FFAR1 (0.43) FFAR1NR4A2PRKCAPRKCDKCNA5
SCHEMBL3062258 0.81 KCNA5 (0.45) FFAR1MAPTPRKCAPRKCDKCNA5
SCHEMBL13093728 0.81 FFAR1 (0.43) FFAR1NR4A2PRKCAPRKCDKCNA5
SCHEMBL13093725 0.81 FFAR1 (0.43) FFAR1NR4A2PRKCAPRKCDKCNA5
SCHEMBL13093724 0.81 KCNA5 (0.43) FFAR1MAPTPRKCAPRKCDKCNA5
SCHEMBL13093726 0.81 KCNA5 (0.43) FFAR1MAPTPRKCAPRKCDKCNA5

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 6 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

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-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 FFAR1 556/4885MAOB 1498/4885SCD 2756/4885

“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.