SCHEMBL20175906

SCHEMBL20175906

CC(C)OCCOCCOCCOCCOCCOCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CTH P32929 1/20 0.32
CBS P35520 1/20 0.32
THPO P40225 1/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 2/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
APEX1 P27695 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL2946936 1.00 EPHX2 (0.35) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL20175905 1.00 EPHX2 (0.35) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL2950439 1.00 EPHX2 (0.35) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL2945712 0.98 ALDH1A1 (0.35) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL6663291 0.83 MEN1 (0.33) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL2944390 0.83 GABRP (0.37) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL21106821 0.83 CES2 (0.45) EPHX2MEN1KMT2AALDH1A1TDP1
SCHEMBL2951850 0.83 GABRP (0.37) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL2943325 0.83 GABRP (0.37) EPHX2MEN1KMT2ABLMPMP22
SCHEMBL25885330 0.83 CES2 (0.45) EPHX2MEN1KMT2AALDH1A1TDP1

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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 EPHX2 2750/4885MEN1 741/4885KMT2A 2059/4885

“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.