SCHEMBL6316588

SCHEMBL6316588

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
TBXAS1 P24557 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
CHRM1 P11229 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GRM2 Q14416 2/20 0.41

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
SCHEMBL4500484 0.78 LMNA (0.44) LMNATBXAS1L3MBTL1ADRB1ADRB3
SCHEMBL6394358 0.77 PSMB5 (0.48) LMNAADRB1ADRB3SMN1; SMN2GAA
SCHEMBL5929613 0.76 SMN1; SMN2 (0.53) LMNATBXAS1L3MBTL1SMN1; SMN2GAA
SCHEMBL6310768 0.75 NPY5R (0.49) L3MBTL1SMN1; SMN2HTTGRM2
SCHEMBL30884135 0.75 LMNA (0.61) LMNATBXAS1L3MBTL1SMN1; SMN2GAA
SCHEMBL10589633 0.73 SMN1; SMN2 (0.61) LMNAADRB1ADRB3SMN1; SMN2GAA
SCHEMBL6309762 0.72 PRKCA (0.46) L3MBTL1KMT2AHTT
SCHEMBL23082878 0.72 LMNA (0.57) LMNAL3MBTL1SMN1; SMN2GAAKMT2A
SCHEMBL1944199 0.72 CYP1A2 (0.55) LMNATBXAS1L3MBTL1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL8491019 0.71 LMNA (0.56) LMNATBXAS1L3MBTL1SMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005123727-A1 3-ARYL-3-HYDROXY- AND 3-ARYL-3-OXOPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-29 WO disclosed
US-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides ATP CAPITAL LP 2005-12-15 US 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-20050277663-A1 3-Aryl-3-hydroxy-and 3-aryl-3-oxopropionic acid esters as fungicides CYP21A2, HAO1, AHR LMNA 3281/4885TBXAS1 3684/4885L3MBTL1 2208/4885

“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.