SCHEMBL4500484

SCHEMBL4500484

C=C(C(=O)OC(C)Cc1ccccc1)C(O)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
TBXAS1 P24557 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CHRM1 P11229 1/20 0.41
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ECE1 P42892 1/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL3111929 0.86 KCNA5 (0.44) ADRB1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27847151 0.85 CYP17A1 (0.45) TBXAS1SMN1; SMN2GAAHPGD
SCHEMBL28790710 0.82 PLA2G7 (0.37) LMNAL3MBTL1SMN1; SMN2HPGD
SCHEMBL5954059 0.80 SMN1; SMN2 (0.42) LMNATBXAS1L3MBTL1SMN1; SMN2HPGD
SCHEMBL6316588 0.78 LMNA (0.48) LMNATBXAS1L3MBTL1ADRB1ADRB3
SCHEMBL27828436 0.78 PLA2G7 (0.41) LMNATBXAS1L3MBTL1SMN1; SMN2GAA
SCHEMBL3103613 0.77 KCNA5 (0.40) ADRB1ADRB3SMN1; SMN2GAAHPGD
SCHEMBL13817460 0.77 SMN1; SMN2 (0.47) LMNATBXAS1SMN1; SMN2HPGDCYP2C9
SCHEMBL457177 0.77 CASP1 (0.52) LMNAL3MBTL1SMN1; SMN2GAAHPGD
SCHEMBL4491155 0.76 CYP19A1 (0.46) SMN1; SMN2CYP3A4CNR1

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 LMNA 2062/4885TBXAS1 4140/4885L3MBTL1 2107/4885

“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.