SCHEMBL4489781

SCHEMBL4489781

C=C(C(=O)Oc1ccc(OC)cc1)C(O)c1nccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.41
CTSA P10619 4/20 0.40
KMT2A Q03164 3/20 0.39
RBBP9 O75884 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FBP1 P09467 1/20 0.38
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 2/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL4494328 0.90 TRPM8 (0.39) NPC1RAB9ALMNASMN1; SMN2CTSA
SCHEMBL4495124 0.87 LMNA (0.42) NPC1RAB9ALMNASMN1; SMN2TSHR
SCHEMBL4497712 0.87 RAB9A (0.41) NPC1RAB9ASMN1; SMN2TP53CTSA
SCHEMBL4493455 0.85 NPC1 (0.39) NPC1RAB9ASMN1; SMN2TP53CTSA
SCHEMBL4490654 0.83 ELANE (0.50) NPC1RAB9AKMT2AGAAMEN1
SCHEMBL4506051 0.81 CTSA (0.37) NPC1RAB9ASMN1; SMN2TP53CTSA
SCHEMBL4487757 0.81 MAPT (0.38) NPC1RAB9ALMNACTSAFBP1
SCHEMBL4487271 0.79 CTSA (0.36) NPC1RAB9ASMN1; SMN2TSHRCTSA
SCHEMBL4500400 0.79 MEN1 (0.44) NPC1RAB9ASMN1; SMN2CTSAKMT2A
SCHEMBL4493907 0.79 CHRNA3 (0.37) CTSA

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 5 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
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 NPC1 2050/4885RAB9A 2421/4885LMNA 2062/4885

“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.