SCHEMBL4491357

SCHEMBL4491357

C=C(C(=O)OCc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1)C(O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 3/20 0.36
THRA P10827 2/20 0.36
SCN9A Q15858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
CASP1 P29466 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL13817513 0.95 FFAR1 (0.38) FFAR1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4498270 0.91 FFAR1 (0.41) FFAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13817512 0.86 FFAR1 (0.39) FFAR1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL3109418 0.83 SMN1; SMN2 (0.41) FFAR1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4499435 0.83 FFAR1 (0.39) FFAR1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4503616 0.83 LIPE (0.50) LMNASCN9A
SCHEMBL13817535 0.81 NPSR1 (0.44) ALDH1A1LMNAMEN1KMT2ANPSR1
SCHEMBL13817516 0.78 FFAR1 (0.37) FFAR1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL3109164 0.78 CNR1 (0.40) FFAR1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4486868 0.76 FFAR1 (0.42) FFAR1ALDH1A1MEN1KMT2ATHRB

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 304/4885SMN1; SMN2 1516/4885ALDH1A1 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.