SCHEMBL8596100

SCHEMBL8596100

CC(C)(C)OC(=O)CCNC(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.40
MLYCD O95822 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
PHF8 Q9UPP1 5/20 0.38
KDM2A Q9Y2K7 5/20 0.38
KDM4E B2RXH2 3/20 0.38
KDM5C P41229 3/20 0.38
EGLN1 Q9GZT9 2/20 0.38
KDM6B O15054 1/20 0.38
FOLH1 Q04609 1/20 0.38
KDM7A Q6ZMT4 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
FAAH O00519 2/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36

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
SCHEMBL16761792 0.87 ECE1 (0.41) ECE1MLYCDNPSR1KDM4EEPHX2
SCHEMBL20556419 0.87 EPHX2 (0.51) KDM4EEPHX2MEN1GAAKMT2A
SCHEMBL12997717 0.86 MEN1 (0.42) KDM4EEPHX2MEN1GAAKMT2A
SCHEMBL8531447 0.86 TSHR (0.46) MLYCDKDM4EEPHX2KMT2AALDH1A1
SCHEMBL13143977 0.85 RECQL (0.47) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL5617349 0.85 MAOA (0.38) ECE1NPSR1PHF8KDM2AKDM4E
SCHEMBL29594603 0.84 TLR2 (0.41) PHF8KDM2AKDM4EKDM5CEGLN1
SCHEMBL947583 0.84 CASP2 (0.48) MLYCDEPHX2GAARECQLFAAH
SCHEMBL21038130 0.84 EPHX2 (0.43) ECE1MLYCDNPSR1EPHX2MEN1
SCHEMBL4394882 0.84 MEN1 (0.53) NPSR1PHF8KDM2AKDM4EKDM5C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012065958-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
CN-101225094-A Anthraquinones tetracyclic compound having anticancer activity TIANJIN HEMEI BIOTECHNOLOGY CO (CN) 2008-07-23 CN 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-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN ECE1 13/4885MLYCD 4677/4885NPSR1 45/4885

“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.