SCHEMBL4493473

SCHEMBL4493473

[CH2]c1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.39
NPBWR1 P48145 3/20 0.38
MCHR1 Q99705 2/20 0.38
TLR8 Q9NR97 7/20 0.38
FFAR1 O14842 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL4496102 0.85 RAB9A (0.41) TLR7NPBWR1MCHR1TLR8
SCHEMBL9582221 0.85 MAOB (0.41) TLR7NPBWR1MCHR1TLR8SMN1; SMN2
SCHEMBL4493478 0.85 NPBWR1 (0.46) TLR7NPBWR1MCHR1TLR8
SCHEMBL10482278 0.82 TLR8 (0.36) TLR7NPBWR1MCHR1TLR8
SCHEMBL3104195 0.82 TLR7 (0.39) TLR7NPBWR1MCHR1TLR8FFAR1
SCHEMBL11041547 0.81 KIF11 (0.41) TLR7NPBWR1MCHR1TLR8
SCHEMBL9331754 0.79 NR4A1 (0.44) TLR7NPBWR1MCHR1TLR8SMN1; SMN2
SCHEMBL11039095 0.79 HSPB1 (0.48) TLR7NPBWR1MCHR1
SCHEMBL9711431 0.77 RAB9A (0.42) TLR7TLR8
SCHEMBL9134954 0.77 TDP1 (0.50)

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 3 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-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 TLR7 2779/4885NPBWR1 3012/4885MCHR1 775/4885

“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.