SCHEMBL18288694

SCHEMBL18288694

C[C@H](OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N1CCC(=O)CC1)C(=O)N1CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
LIPE Q05469 1/20 0.36
HCAR2 Q8TDS4 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL18288705 0.82 ALDH1A1 (0.46) LMNAL3MBTL1ALDH1A1KMT2AHCAR2
SCHEMBL18288681 0.81 ALDH1A1 (0.46) LMNAL3MBTL1ALDH1A1KMT2AHCAR2
SCHEMBL327691 0.79 LIPE (0.40) LMNAL3MBTL1ALDH1A1KMT2ALIPE
SCHEMBL18292237 0.78 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL19701743 0.75 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1KMT2AHCAR2
SCHEMBL19701745 0.75 ALDH1A1 (0.42) LMNAL3MBTL1ALDH1A1KMT2AHCAR2
SCHEMBL10310589 0.75 LIPE (0.40) LMNAL3MBTL1ALDH1A1KMT2ALIPE
SCHEMBL18292235 0.74 ALDH1A1 (0.33) LMNAL3MBTL1ALDH1A1KMT2AHCAR2
SCHEMBL640493 0.74 LIPE (0.44) LMNAALDH1A1KMT2ALIPESMN1; SMN2
SCHEMBL2115607 0.73 HCAR2 (0.47) L3MBTL1ALDH1A1KMT2AHCAR2HPGD

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

“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.