SCHEMBL4496102

SCHEMBL4496102

[CH2]c1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 5/20 0.38
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
BRAF P15056 1/20 0.34
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 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
SCHEMBL4493473 0.85 TLR7 (0.39) TLR8TLR7NPBWR1MCHR1
SCHEMBL4496108 0.84 AR (0.42) RAB9ATLR8TLR7MAPTALDH1A1
SCHEMBL9572363 0.84 RAB9A (0.59) RAB9ATLR8TLR7THRBTHRA
SCHEMBL10538432 0.81 RAB9A (0.49) RAB9ATLR8TLR7THRBTHRA
SCHEMBL10482281 0.81 RAB9A (0.38) RAB9ATLR8TLR7THRBTHRA
SCHEMBL11037851 0.81 MAPK1 (0.53) RAB9ATLR8TLR7THRBTHRA
SCHEMBL10803315 0.80 TLR7 (0.42) RAB9ATLR8TLR7THRBTHRA
SCHEMBL10669968 0.80 KMO (0.52) RAB9ATLR8TLR7THRBTHRA
SCHEMBL10482278 0.80 TLR8 (0.36) RAB9ATLR8TLR7THRBTHRA
SCHEMBL8700324 0.79 TDP1 (0.40) MAPTALDH1A1

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 RAB9A 2421/4885TLR8 4695/4885TLR7 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.