SCHEMBL18567010

SCHEMBL18567010

O=C(/C=C/C(=O)OCC(=O)C(=O)N1CCCCC1)OCC(=O)C(=O)N1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
APOBEC3A P31941 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ATM Q13315 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL18566979 0.98 L3MBTL1 (0.41) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18352085 0.93 HCAR2 (0.42) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18352055 0.92 HCAR2 (0.41) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18352146 0.92 HCAR2 (0.44) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18566998 0.91 L3MBTL1 (0.41) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18352082 0.90 HCAR2 (0.42) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18352147 0.88 HCAR2 (0.41) L3MBTL1APOBEC3ACTDSP1APOBEC3GTDP1
SCHEMBL18566997 0.82 TDP1 (0.39) L3MBTL1TDP1ALDH1A1MAPTKDM4E
SCHEMBL18566996 0.82 CYP1A2 (0.39) L3MBTL1TDP1ATMLMNAALDH1A1
SCHEMBL18566990 0.82 L3MBTL1 (0.46) L3MBTL1LMNAALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597306-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-03-21 US disclosed
US-9597306-B1 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-03-21 US disclosed
US-20170056358-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-03-02 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-20170056358-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC L3MBTL1 4164/4885APOBEC3A 3740/4885CTDSP1 2623/4885

“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.