SCHEMBL3109020

SCHEMBL3109020

C=C(C(=O)OCc1ccc(C(F)(F)F)cc1)C(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.45
FFAR1 O14842 1/20 0.43
LRRK2 Q5S007 2/20 0.42
SRPK3 Q9UPE1 1/20 0.42
GPR132 Q9UNW8 1/20 0.41
TEAD1 P28347 1/20 0.41
CYP3A4 P08684 4/20 0.41
CYP3A5 P20815 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 2/20 0.40
MMP12 P39900 2/20 0.40
MMP1 P03956 1/20 0.40
EPHX2 P34913 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL3109119 0.88 NPC1 (0.43) TRPV1FFAR1GPR132LMNAKMT2A
SCHEMBL3106146 0.88 FFAR1 (0.46) FFAR1LRRK2MMP12MMP1KMT2A
SCHEMBL3111661 0.87 LIPE (0.47) FFAR1LMNA
SCHEMBL3109418 0.85 SMN1; SMN2 (0.41) FFAR1LRRK2SRPK3LMNAKMT2A
SCHEMBL3103554 0.83 LMNA (0.43) GPR132LMNAKMT2ATDP1
SCHEMBL3101528 0.83 CNR2 (0.43) TRPV1FFAR1LMNAKMT2ACNR1
SCHEMBL3109164 0.82 CNR1 (0.40) FFAR1LRRK2SRPK3LMNAKMT2A
SCHEMBL3114820 0.81 HTT (0.44) TRPV1GPR132CYP3A4LMNAKMT2A
SCHEMBL3101778 0.81 FAAH (0.49) FFAR1GPR132CYP3A4
SCHEMBL27846966 0.81 NPC1 (0.37) LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US claimed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP claimed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO claimed
US-20100273649-A1 Fungicidal Mixtures III BASF SE (DE) 2010-10-28 US disclosed
EP-2219459-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2010-08-25 EP disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
US-7541472-B2 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CROPSOLUTION, INC. (US) 2009-06-02 US disclosed
WO-2009063076-A2 FUNGICIDAL MIXTURES III BASF SE (DE) 2009-05-22 WO disclosed
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 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-20100273649-A1 Fungicidal Mixtures III CBR3, CBR1, NOX3 TRPV1 1723/4885FFAR1 421/4885LRRK2 4829/4885
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 TRPV1 4146/4885FFAR1 304/4885LRRK2 4834/4885

“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.