SCHEMBL3067447

SCHEMBL3067447

O=C(OCc1cccc(C(F)(F)F)c1)C(Cc1ccco1)C(O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.42
FFAR1 O14842 1/20 0.41
KCNA5 P22460 3/20 0.39
PRKCA P17252 1/20 0.39
PRKCD Q05655 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
MMP1 P03956 1/20 0.38
MMP12 P39900 1/20 0.38
KCNH2 Q12809 1/20 0.36
VNN1 O95497 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MGLL Q99685 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL3075533 0.87 FFAR1 (0.46) TDP1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3062327 0.84 NPC1 (0.43) L3MBTL1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3075512 0.82 FFAR1 (0.41) L3MBTL1FFAR1KCNA5PRKCAPRKCD
SCHEMBL6309762 0.81 PRKCA (0.46) L3MBTL1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3069083 0.79 KCNA5 (0.44) FFAR1KCNA5PRKCAPRKCDALDH1A1
SCHEMBL3071472 0.79 FFAR1 (0.41) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3076912 0.79 FFAR1 (0.43) TDP1L3MBTL1FFAR1KCNA5PRKCA
SCHEMBL3062239 0.79 FFAR1 (0.47) TDP1FFAR1KCNA5PRKCAPRKCD
SCHEMBL3065993 0.79 CYP19A1 (0.41) FFAR1KCNA5PRKCAPRKCDMMP1
SCHEMBL3066645 0.78 KCNA5 (0.43) FFAR1KCNA5PRKCAPRKCDMMP1

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-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 TDP1 2709/4885L3MBTL1 2208/4885MAPK1 3295/4885
US-20100267555-A1 Fungicidal mixtures II CBR3, CBR1, NOX3 TDP1 1816/4885L3MBTL1 1121/4885MAPK1 3423/4885

“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.