SCHEMBL10159481

SCHEMBL10159481

C=C(CC)C[C@@H]1C[C@H](O)[C@]2(C)OC3CC4OC5C[C@]6(C)O[C@]7(C)CCC8OC9C[C@]%10(C)OC%11C(C)=CC(=O)OC%11CC%10OC9C[C@@H](C)C8OC7CC6O[C@@]5(C)C/C=C\C4OC3CC2O1

nearest known ligand 0.91

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.91
NPSR1 Q6W5P4 3/20 0.91
MEN1 O00255 1/20 0.91
KMT2A Q03164 1/20 0.91
SCN1A P35498 1/20 0.87
SCN2A Q99250 1/20 0.87
SCN3A Q9NY46 1/20 0.87
POLB P06746 1/20 0.86
CRHBP P24387 1/20 0.78
CRHR2 Q13324 1/20 0.78
PDE4D Q08499 3/20 0.76
NPC1 O15118 2/20 0.74
MAPT P10636 2/20 0.74
MAPK1 P28482 2/20 0.74
RAB9A P51151 2/20 0.74
XBP1 P17861 1/20 0.74
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
RAP1A P62834 2/20 0.32

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
SCHEMBL12908959 1.00 ALDH1A1 (0.91) ALDH1A1NPSR1MEN1KMT2ASCN1A
SCHEMBL13947366 1.00 ALDH1A1 (0.91) ALDH1A1NPSR1MEN1KMT2ASCN1A
SCHEMBL29374517 0.95 ALDH1A1 (1.00) ALDH1A1NPSR1MEN1KMT2ASCN1A
SCHEMBL15502881 0.94 ALDH1A1 (0.89) ALDH1A1NPSR1MEN1KMT2ASCN1A
SCHEMBL12908965 0.94 ALDH1A1 (0.86) ALDH1A1NPSR1MEN1KMT2ASCN1A
Alpha-Bungarotoxin SCHEMBL14043478 0.93 SCN1A (1.00) ALDH1A1NPSR1MEN1KMT2ASCN1A
Alpha-Bungarotoxin SCHEMBL14106557 0.93 SCN1A (1.00) ALDH1A1NPSR1MEN1KMT2ASCN1A
SCHEMBL10130542 0.93 ALDH1A1 (0.87) ALDH1A1NPSR1MEN1KMT2ASCN1A
Brevetoxin B SCHEMBL869360 0.93 SCN1A (1.00) ALDH1A1NPSR1MEN1KMT2ASCN1A
Alpha-Bungarotoxin SCHEMBL29374938 0.93 SCN1A (1.00) ALDH1A1NPSR1MEN1KMT2ASCN1A

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-20160128321-A1 Ladder-Frame Polyether Conjugates UNIVERSITY OF NORTH CAROLINA AT WILMINGTON 2016-05-12 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 (2 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-20120077778-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR ALDH1A1 2158/4885NPSR1 1371/4885MEN1 2574/4885
US-20160128321-A1 Ladder-Frame Polyether Conjugates ABCB4, NUP210, BCR ALDH1A1 2158/4885NPSR1 1371/4885MEN1 2574/4885

“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.