SCHEMBL418688

SCHEMBL418688

CC(C)CCOc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
NR1H4 Q96RI1 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PLA2G2A P14555 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
RARB P10826 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
XDH P47989 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
EPHX2 P34913 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
SCHEMBL417125 0.87 GAA (0.62) MAPK1GAAMEN1KMT2ALMNA
SCHEMBL10137580 0.87 GAA (0.50) MAPK1GAAMEN1KMT2ALMNA
SCHEMBL4524645 0.81 MEN1 (0.51) MAPK1MEN1KMT2APLA2G2ALMNA
SCHEMBL9168360 0.81 PLA2G2A (0.71) PLA2G2ARARBTP53
SCHEMBL10169578 0.79 MAPK1 (0.62) MAPK1NR1H4GAAMEN1KMT2A
SCHEMBL1792981 0.79 KMT2A (0.51) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL418506 0.77 MAPK1 (0.60) MAPK1NR1H4GAAMEN1KMT2A
SCHEMBL10137630 0.77 MAPK1 (0.60) MAPK1NR1H4GAAKMT2APLA2G2A
SCHEMBL1099548 0.76 MEN1 (0.55) MAPK1GAAMEN1KMT2ALMNA
SCHEMBL19806813 0.76 PLA2G2A (0.63) MAPK1NR1H4MEN1KMT2APLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
WO-2004018644-A2 HETEROGENEOUS FOLDAMERS CONTAINING α, β, AND/OR Ϝ-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-04 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 (2 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 MAPK1 4510/4885NR1H4 3025/4885GAA 161/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ MAPK1 4503/4885NR1H4 2839/4885GAA 208/4885

“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.