SCHEMBL15475720

SCHEMBL15475720

O=C(/C=C/C(=O)OCCCN1CCOCC1)OCCCCCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
PAOX Q6QHF9 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL15154188 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154611 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15174198 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154397 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154672 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154487 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154156 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15475479 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154344 0.98 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15154402 0.97 KDM4E (0.50) KDM4EALDH1A1HPGDSMN1; SMN2GAA

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-20140051705-A1 Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use XENOPORT, INC. (US) 2014-02-20 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-20140051705-A1 Morpholinoalkyl Fumarate Compounds, Pharmaceutical Compositions, and Methods of Use FH, APC, HTT KDM4E 3249/4885ALDH1A1 2754/4885HPGD 1190/4885

“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.