SCHEMBL18288692

SCHEMBL18288692

O=C(/C=C/C(=O)OCC(=O)N1CCOCC1)OCC(=O)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.63
RAB9A P51151 4/20 0.51
POLB P06746 3/20 0.51
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
GLA P06280 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FKBP1A P62942 3/20 0.46

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
SCHEMBL18288634 0.93 L3MBTL1 (0.56) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL2115851 0.93 L3MBTL1 (0.56) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL2115854 0.93 L3MBTL1 (0.56) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL2609692 0.92 L3MBTL1 (0.54) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL18288674 0.85 L3MBTL1 (0.47) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL29395178 0.84 L3MBTL1 (0.45) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL19710848 0.82 L3MBTL1 (0.44) L3MBTL1RAB9APOLBNPC1ALDH1A1
SCHEMBL18288645 0.82 L3MBTL1 (0.57) L3MBTL1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL18566990 0.82 L3MBTL1 (0.46) L3MBTL1RAB9APOLBALDH1A1LMNA
SCHEMBL18288643 0.81 L3MBTL1 (0.58) L3MBTL1RAB9APOLBNPC1ALDH1A1

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 L3MBTL1 4164/4885RAB9A 2464/4885POLB 471/4885

“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.