SCHEMBL15475487

SCHEMBL15475487

CCOC(=O)/C=C/C(=O)OCCCCCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
ACHE P22303 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HCAR2 Q8TDS4 2/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 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
SCHEMBL15475791 1.00 KDM4E (0.47) KDM4EALDH1A1HPGDACHETDP1
SCHEMBL15171934 0.99 KDM4E (0.48) KDM4EALDH1A1HPGDACHETDP1
SCHEMBL15171925 0.94 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HCAR2
SCHEMBL15154611 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL15154487 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL15154397 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL15174198 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL15475479 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL15154156 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1
SCHEMBL15154344 0.93 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1MEN1

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.