SCHEMBL4498439

SCHEMBL4498439

C=C(C(=O)OCc1cccc(OC(F)(F)F)c1)C(O)c1nccs1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 6/20 0.51
FFAR1 O14842 1/20 0.43
CETP P11597 3/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX5 P09917 1/20 0.40
NTRK1 P04629 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
FEN1 P39748 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ADAM17 P78536 1/20 0.38
KCNN4 O15554 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
SCHEMBL4487410 0.89 CTSA (0.42) CTSAFFAR1CYP19A1CYP11B1CYP11B2
SCHEMBL4501790 0.88 L3MBTL1 (0.47) CTSAFFAR1NPC1RAB9AMRGPRX4
SCHEMBL4489606 0.84 MAPK1 (0.45) FFAR1NPC1RAB9AMRGPRX4
SCHEMBL4486868 0.84 FFAR1 (0.42) CTSAFFAR1NPC1RAB9AALOX5
SCHEMBL4499116 0.83 CTSA (0.47) CTSAFFAR1ALOX5MMP2MMP9
SCHEMBL4492518 0.83 CTSA (0.44) CTSAFFAR1NPC1RAB9AALOX5
SCHEMBL4492426 0.81 FFAR1 (0.39) CTSAFFAR1NPC1RAB9AMRGPRX4
SCHEMBL4506759 0.81 FFAR1 (0.43) CTSAFFAR1NPC1RAB9A
SCHEMBL13817517 0.81 FFAR1 (0.41) CTSAFFAR1NPC1RAB9AALOX5
SCHEMBL4501448 0.81 CTSA (0.41) CTSAFFAR1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides ATP CAPITAL LP 2006-05-04 US disclosed
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 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-20060094739-A1 3-Aryl-3-hydroxy-2-methylenepropionic acid esters as fungicides CYP51A1, DDT, CYP21A2 CTSA 1423/4885FFAR1 304/4885CETP 3526/4885

“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.