SCHEMBL4486868

SCHEMBL4486868

C=C(C(=O)OCc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1)C(O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MRGPRX4 Q96LA9 8/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSA P10619 4/20 0.37
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL13817517 0.95 FFAR1 (0.41) FFAR1RAB9ANPC1MRGPRX4MEN1
SCHEMBL4499435 0.91 FFAR1 (0.39) FFAR1RAB9ANPC1MRGPRX4MEN1
SCHEMBL13817516 0.86 FFAR1 (0.37) FFAR1RAB9ANPC1MRGPRX4MEN1
SCHEMBL4501790 0.85 L3MBTL1 (0.47) FFAR1RAB9ANPC1MRGPRX4CTSA
SCHEMBL4498270 0.85 FFAR1 (0.41) FFAR1RAB9AMRGPRX4MEN1POLB
SCHEMBL4489606 0.84 MAPK1 (0.45) FFAR1RAB9ANPC1MRGPRX4POLB
SCHEMBL4498439 0.84 CTSA (0.51) FFAR1RAB9ANPC1MRGPRX4CTSA
SCHEMBL3103497 0.83 RORC (0.45) FFAR1RAB9AMRGPRX4MEN1POLB
SCHEMBL4499116 0.81 CTSA (0.47) FFAR1CTSAALOX5
SCHEMBL4492426 0.81 FFAR1 (0.39) FFAR1RAB9ANPC1MRGPRX4CTSA

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

“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.