SCHEMBL18288696

SCHEMBL18288696

C[C@H](OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N1CCOC(=O)C1)C(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 1/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL18292235 0.95 ALDH1A1 (0.33) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL18288656 0.88 ALOX15 (0.32) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL18292237 0.86 SMN1; SMN2 (0.47) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL18288709 0.81 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL2115608 0.81 HCAR2 (0.47) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL2609715 0.81 SMN1; SMN2 (0.43) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL2609712 0.81 SMN1; SMN2 (0.43) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL2115607 0.81 HCAR2 (0.47) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10
SCHEMBL29257694 0.74 GAA (0.36) ALDH1A1SMN1; SMN2GAAKDM4EKMT2A
SCHEMBL18288694 0.73 LMNA (0.38) ALDH1A1HPGDSMN1; SMN2ALOX15HSD17B10

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 1949/4885HPGD 113/4885SMN1; SMN2 79/4885

“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.