SCHEMBL10169578

SCHEMBL10169578

Cc1cc(OCCC(C)C)cc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
NR1H4 Q96RI1 2/20 0.51
PLA2G2A P14555 1/20 0.50
TPMT P51580 1/20 0.48
RARB P10826 1/20 0.48
F2 P00734 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
EPHX2 P34913 1/20 0.44
XDH P47989 1/20 0.43
HCAR1 Q9BXC0 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL27584673 0.84 TPMT (0.52) MAPK1NR1H4PLA2G2ATPMTRARB
SCHEMBL10137630 0.83 MAPK1 (0.60) MAPK1NR1H4PLA2G2ARARBKMT2A
SCHEMBL418506 0.83 MAPK1 (0.60) MAPK1NR1H4PLA2G2ARARBKMT2A
SCHEMBL19806813 0.82 PLA2G2A (0.63) MAPK1NR1H4PLA2G2ARARBKMT2A
SCHEMBL17127739 0.81 TDP1 (0.57) MAPK1F2EPHX2KDM4EALDH1A1
SCHEMBL16533944 0.81 PLA2G2A (0.53) PLA2G2ATPMTKMT2AMEN1POLB
SCHEMBL14252296 0.81 PLA2G2A (0.71) NR1H4PLA2G2ATPMTRARBKMT2A
SCHEMBL13039721 0.80 MAPK1 (0.56) MAPK1NR1H4PLA2G2ARARBKMT2A
SCHEMBL8731304 0.79 PLA2G2A (0.79) NR1H4PLA2G2ATPMTRARBKMT2A
SCHEMBL418688 0.79 MAPK1 (0.55) MAPK1NR1H4PLA2G2ARARBKMT2A

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
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

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 3025/4885PLA2G2A 4185/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ MAPK1 4503/4885NR1H4 2839/4885PLA2G2A 4064/4885

“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.