SCHEMBL4492426

SCHEMBL4492426

C=C(C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTSA P10619 6/20 0.36
TACR1 P25103 3/20 0.35
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33
XPO1 O14980 1/20 0.32

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
SCHEMBL13817538 0.94 FFAR1 (0.37) FFAR1NPC1RAB9ACTSATACR1
SCHEMBL4501790 0.89 L3MBTL1 (0.47) FFAR1NPC1RAB9ACTSAIDO1
SCHEMBL4506759 0.89 FFAR1 (0.43) FFAR1NPC1RAB9ACTSACYP3A4
SCHEMBL4494152 0.84 CTSA (0.38) FFAR1CTSACNR2
SCHEMBL13817544 0.83 ALOX5 (0.34) FFAR1NPC1RAB9ACTSAALDH1A1
SCHEMBL4499435 0.83 FFAR1 (0.39) FFAR1NPC1RAB9AALDH1A1CNR2
SCHEMBL4484469 0.82 CNR2 (0.35) FFAR1NPC1RAB9ACTSAALDH1A1
SCHEMBL13817539 0.82 NR3C2 (0.39) FFAR1NPC1RAB9ACTSA
SCHEMBL13817537 0.82 CTSA (0.45) FFAR1NPC1RAB9ACTSAIDO1
SCHEMBL4487410 0.81 CTSA (0.42) FFAR1NPC1RAB9ACTSA

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 4 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

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 FFAR1 304/4885NPC1 2050/4885RAB9A 2421/4885

“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.