SCHEMBL6394358

SCHEMBL6394358

CC(C(=O)OCc1ccc(Oc2ccccc2)cc1)C(O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.48
NPY5R Q15761 3/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GRM2 Q14416 1/20 0.45
TOP2A P11388 2/20 0.43
TOP2B Q02880 2/20 0.43
NAMPT P43490 1/20 0.43
GAA P10253 1/20 0.43
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3069625 0.88 LMNA (0.45) PSMB5NPY5RLMNAKMT2ATDP1
SCHEMBL6310768 0.87 NPY5R (0.49) PSMB5NPY5RGRM2NAMPTNPC1
SCHEMBL6308945 0.82 LMNA (0.40) PSMB5NPY5RLMNAKMT2ATDP1
SCHEMBL6316387 0.81 LMNA (0.45) PSMB5LMNAKMT2ATDP1NAMPT
SCHEMBL3081201 0.81 TSHR (0.46) PSMB5NPY5RLMNAKMT2ATDP1
SCHEMBL6310041 0.80 LMNA (0.38) PSMB5LMNAKMT2ATDP1NAMPT
SCHEMBL3103554 0.80 LMNA (0.43) PSMB5LMNAKMT2ATDP1NAMPT
SCHEMBL6316393 0.79 LMNA (0.50) PSMB5LMNAKMT2ATDP1GRM2
SCHEMBL23082878 0.77 LMNA (0.57) LMNAKMT2ATDP1GAATP53
SCHEMBL6316588 0.77 LMNA (0.48) LMNAKMT2ATDP1GRM2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PSMB5 1046/4885NPY5R 741/4885LMNA 3281/4885

“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.