SCHEMBL18288667

SCHEMBL18288667

C=C1CN(C(=O)COC(=O)/C=C/C(=O)OCC(=O)N2CCOC(=O)C2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32
RAB9A P51151 3/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL18292192 0.92 L3MBTL1 (0.41) L3MBTL1ATMTDP1CTDSP1APOBEC3A
SCHEMBL18644053 0.88
SCHEMBL18288674 0.87 L3MBTL1 (0.47) L3MBTL1ATMTDP1CTDSP1APOBEC3A
SCHEMBL18567001 0.79 L3MBTL1 (0.32) L3MBTL1ATMTDP1CTDSP1APOBEC3A
SCHEMBL19816622 0.76 L3MBTL1 (0.39) L3MBTL1ATMTDP1KDM4EALDH1A1
SCHEMBL18288656 0.75 ALOX15 (0.32) L3MBTL1KDM4EALDH1A1LMNAHPGD
SCHEMBL18352024 0.75 KEAP1 (0.32) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18288692 0.71 L3MBTL1 (0.63) L3MBTL1TDP1KDM4EALDH1A1GAA
SCHEMBL18199355 0.71 ALDH1A1 (0.30) ALDH1A1MAPT
SCHEMBL23082073 0.70 BLM (0.37) ALDH1A1LMNARAB9APOLBNPC1

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-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 L3MBTL1 4164/4885ATM 4406/4885TDP1 1164/4885

“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.