SCHEMBL18358014

SCHEMBL18358014

O=C(/C=C/C(=O)OCCOC(=O)N1CCOCC1)OCCOC(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
TSHR P16473 2/20 0.58
RECQL P46063 1/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18353141 0.94 SMN1; SMN2 (0.53) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18358057 0.93 SMN1; SMN2 (0.64) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18360944 0.92 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18352552 0.88 SMN1; SMN2 (0.57) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL14999228 0.86 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18360960 0.86 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL18352687 0.81 ALDH1A1 (0.40) SMN1; SMN2LMNAPOLBTSHRL3MBTL1
SCHEMBL14999229 0.80 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL14180427 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAPOLBTSHRRECQL
SCHEMBL296556 0.79 SMN1; SMN2 (0.64) SMN1; SMN2LMNAPOLBTSHRRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001952-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC SMN1; SMN2 79/4885LMNA 4358/4885POLB 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.