SCHEMBL4498270

SCHEMBL4498270

C=C(C(=O)OCc1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)c1)C(O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
MRGPRX4 Q96LA9 12/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 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
SCHEMBL13817512 0.95 FFAR1 (0.39) FFAR1MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL4491357 0.91 FFAR1 (0.40) FFAR1MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL13817513 0.86 FFAR1 (0.38) FFAR1MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL4486868 0.85 FFAR1 (0.42) FFAR1MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL4489548 0.84 MAPK1 (0.45) FFAR1MRGPRX4
SCHEMBL3103497 0.83 RORC (0.45) FFAR1MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL13817517 0.81 FFAR1 (0.41) FFAR1MRGPRX4ALDH1A1MEN1KMT2A
SCHEMBL4499433 0.80 FAAH (0.40) FFAR1ALDH1A1MEN1KMT2A
SCHEMBL13817535 0.80 NPSR1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL3109428 0.79 RORC (0.41) FFAR1MRGPRX4ALDH1A1MEN1KMT2A

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 304/4885MRGPRX4 2010/4885ALDH1A1 62/4885

“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.