SCHEMBL1813667

SCHEMBL1813667

CC(C)CCC[C@@H](CCCNC(=O)O[C@@H](OC(=O)C(C)C)C(C)C)CCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.34
ECE1 P42892 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
HTT P42858 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL1814313 1.00 FOLH1 (0.34) FOLH1ECE1HRH3MEN1GAA
SCHEMBL1814515 0.90 FOLH1 (0.34) FOLH1ECE1HRH3MEN1GAA
SCHEMBL1814427 0.90 FOLH1 (0.34) FOLH1ECE1HRH3MEN1GAA
SCHEMBL1815753 0.90 FOLH1 (0.40) FOLH1ECE1MEN1GAAKMT2A
SCHEMBL1816524 0.90 FOLH1 (0.40) FOLH1ECE1MEN1GAAKMT2A
SCHEMBL1814357 0.90 FOLH1 (0.40) FOLH1ECE1MEN1GAAKMT2A
SCHEMBL1812986 0.90 FOLH1 (0.40) FOLH1ECE1MEN1GAAKMT2A
SCHEMBL1815319 0.89 FOLH1 (0.35) FOLH1HRH3MEN1GAAKMT2A
SCHEMBL1817347 0.89 FOLH1 (0.35) FOLH1HRH3MEN1GAAKMT2A
SCHEMBL1812916 0.88 FOLH1 (0.33) FOLH1ECE1HRH3MEN1GAA

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-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2011-05-26 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 (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-20110124705-A1 PRODRUGS OF ALPHA-2-DELTA LIGANDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CHRND, CHRNE, CHRNG FOLH1 305/4885ECE1 2271/4885HRH3 1151/4885

“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.