SCHEMBL10130545

SCHEMBL10130545

C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC(/C(C)=C\C(C)(C)C)C(O)CC%10OC9C[C@@H](C)C8OC7CC6O[C@@]5(C)C/C=C\C4OC3CC2O1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.74
SCN2A Q99250 1/20 0.74
SCN3A Q9NY46 1/20 0.74
ALDH1A1 P00352 4/20 0.65
NPSR1 Q6W5P4 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
PDE4D Q08499 3/20 0.64
NPC1 O15118 2/20 0.63
MAPT P10636 2/20 0.63
MAPK1 P28482 2/20 0.63
RAB9A P51151 2/20 0.63
XBP1 P17861 1/20 0.63
POLB P06746 1/20 0.63
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
RAP1A P62834 2/20 0.33

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
SCHEMBL15503132 0.94 SCN1A (0.77) SCN1ASCN2ASCN3AALDH1A1NPSR1
Alpha-Bungarotoxin SCHEMBL29366348 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
Alpha-Bungarotoxin SCHEMBL29374938 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
Alpha-Bungarotoxin SCHEMBL29386702 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
Alpha-Bungarotoxin SCHEMBL14043478 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
Brevetoxin B SCHEMBL869360 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
Alpha-Bungarotoxin SCHEMBL14106557 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
Alpha-Bungarotoxin SCHEMBL29381923 0.85 SCN1A (1.00) SCN1ASCN2ASCN3AALDH1A1NPSR1
SCHEMBL10130542 0.81 ALDH1A1 (0.87) SCN1ASCN2ASCN3AALDH1A1NPSR1
SCHEMBL15502881 0.81 ALDH1A1 (0.89) SCN1ASCN2ASCN3AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160128321-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2016-05-12 US disclosed
US-20140073604-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2014-03-13 US disclosed
US-20120077778-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2012-03-29 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 (3 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-20140073604-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR SCN1A 3778/4885SCN2A 3232/4885SCN3A 3374/4885
US-20120077778-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR SCN1A 3778/4885SCN2A 3232/4885SCN3A 3374/4885
US-20160128321-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR SCN1A 3778/4885SCN2A 3232/4885SCN3A 3374/4885

“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.