SCHEMBL4493478

SCHEMBL4493478

Cc1ccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.46
MCHR1 Q99705 4/20 0.46
TLR7 Q9NYK1 3/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
AR P10275 1/20 0.38
TLR8 Q9NR97 4/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 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
SCHEMBL4493473 0.85 TLR7 (0.39) NPBWR1MCHR1TLR7TLR8
SCHEMBL9582221 0.85 MAOB (0.41) NPBWR1MCHR1TLR7TLR8MAPT
SCHEMBL4496108 0.84 AR (0.42) TLR7SLC6A4ARTLR8MAPT
SCHEMBL9334657 0.82 CYP3A4 (0.37) NPBWR1MCHR1TLR7HTR2ASLC6A4
SCHEMBL3104195 0.82 TLR7 (0.39) NPBWR1MCHR1TLR7HTR2ASLC6A4
SCHEMBL11041547 0.81 KIF11 (0.41) NPBWR1MCHR1TLR7ARTLR8
SCHEMBL9331754 0.79 NR4A1 (0.44) NPBWR1MCHR1TLR7TLR8MAPT
SCHEMBL11039095 0.79 HSPB1 (0.48) NPBWR1MCHR1TLR7MAPTLMNA
SCHEMBL9331758 0.79 TLR8 (0.52) TLR7TLR8LMNAPOLBMEN1
SCHEMBL9711431 0.77 RAB9A (0.42) TLR7TLR8MEN1KMT2A

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

“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.