SCHEMBL18288657

SCHEMBL18288657

CN(C)C(=O)COC(=O)/C=C/C(=O)OCC(=O)N(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.49
POLB P06746 2/20 0.48
HCAR2 Q8TDS4 5/20 0.46
ATM Q13315 2/20 0.41
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
BLM P54132 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MDM4 O15151 1/20 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
SCHEMBL2609697 0.92 HCAR2 (0.52) STAT3POLBHCAR2ATMMAPT
SCHEMBL11418320 0.84 STAT3 (0.41) STAT3POLBHCAR2ATMKDM4E
SCHEMBL28292244 0.82 TSHR (0.47) STAT3POLBATMKDM4EALDH1A1
SCHEMBL18288640 0.77 HCAR2 (0.48) POLBHCAR2ATMMAPTALDH1A1
SCHEMBL17092602 0.77 HCAR2 (0.48) POLBHCAR2ATMMAPTALDH1A1
SCHEMBL18566993 0.77 HCAR2 (0.39) STAT3POLBHCAR2ATMMAPT
SCHEMBL17092600 0.77 HCAR2 (0.48) POLBHCAR2ATMMAPTALDH1A1
SCHEMBL18288630 0.77 HCAR2 (0.43) POLBHCAR2ATMMAPTKDM4E
SCHEMBL1970699 0.76 MEN1 (0.46) STAT3POLBKDM4EALDH1A1L3MBTL1
SCHEMBL2113304 0.76 HCAR2 (0.48) STAT3POLBHCAR2ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 US disclosed
US-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC STAT3 3734/4885POLB 471/4885HCAR2 290/4885

“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.