SCHEMBL18288705

SCHEMBL18288705

C[C@H](OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N1CCCC1)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.46
HCAR2 Q8TDS4 1/20 0.39
DPP4 P27487 4/20 0.36
DPP7 Q9UHL4 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34

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
SCHEMBL18288681 0.98 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL19701743 0.92 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL19701745 0.92 ALDH1A1 (0.42) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL18288709 0.89 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAKMT2ASMN1; SMN2
SCHEMBL6598455 0.85 L3MBTL1 (0.41) ALDH1A1L3MBTL1LMNAKMT2ADPP4
SCHEMBL18292237 0.84 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1KMT2AHTTSMN1; SMN2
SCHEMBL18288694 0.82 LMNA (0.38) ALDH1A1L3MBTL1LMNAKMT2AHCAR2
SCHEMBL2115607 0.79 HCAR2 (0.47) ALDH1A1L3MBTL1KMT2AHCAR2HTT
SCHEMBL2609712 0.79 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1HCAR2SMN1; SMN2HPGD
SCHEMBL2115608 0.79 HCAR2 (0.47) ALDH1A1L3MBTL1KMT2AHCAR2HTT

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 ALDH1A1 1949/4885L3MBTL1 4164/4885LMNA 4358/4885

“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.