SCHEMBL4499435

SCHEMBL4499435

C=C(C(=O)OCc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1)C(O)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR8 Q9NR97 1/20 0.38
THRB P10828 2/20 0.37
THRA P10827 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL13817516 0.95 FFAR1 (0.37) FFAR1SMN1; SMN2TLR8THRBTHRA
SCHEMBL4486868 0.91 FFAR1 (0.42) FFAR1THRBTHRANPC1RAB9A
SCHEMBL13817517 0.87 FFAR1 (0.41) FFAR1NPC1RAB9AALDH1A1MEN1
SCHEMBL4506759 0.85 FFAR1 (0.43) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL4491357 0.83 FFAR1 (0.40) FFAR1SMN1; SMN2THRBTHRALMNA
SCHEMBL4492426 0.83 FFAR1 (0.39) FFAR1NPC1RAB9AALDH1A1MRGPRX4
SCHEMBL4487410 0.82 CTSA (0.42) FFAR1NPC1RAB9A
SCHEMBL13817470 0.81 IDO1 (0.42) FFAR1MEN1KMT2ACNR2
SCHEMBL4496418 0.81 CTSA (0.42) FFAR1SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4484469 0.81 CNR2 (0.35) FFAR1SMN1; SMN2NPC1RAB9AALDH1A1

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 1516/4885TLR8 4695/4885

“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.