SCHEMBL13534005

SCHEMBL13534005

CC(=O)NCCOCCOCCNC(=O)c1cc2ccc(O)cc2oc1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 10/20 0.63
AKR1B1 P15121 10/20 0.63
AKR1A1 P14550 2/20 0.60
CBR1 P16152 2/20 0.60
AKR1C4 P17516 2/20 0.60
AKR1C3 P42330 2/20 0.60
AKR1C2 P52895 2/20 0.60
AKR1C1 Q04828 2/20 0.60
KDM4E B2RXH2 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58
HTT P42858 2/20 0.58
HSD17B10 Q99714 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MIF P14174 3/20 0.57
S1PR4 O95977 2/20 0.57

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
SCHEMBL25508901 0.92 AKR1B10 (0.64) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25508898 0.88 AKR1B10 (0.61) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25508896 0.87 AKR1B10 (0.60) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25279702 0.81 AKR1B10 (0.75) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL11073365 0.80 AKR1B10 (0.74) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL22800560 0.80 AKR1B10 (0.70) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL21806228 0.80 AKR1B10 (0.59) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL25708668 0.80 AKR1B10 (0.77) AKR1B10AKR1B1AKR1A1CBR1AKR1C4
SCHEMBL23636551 0.80 ALDH1A1 (0.56) AKR1B10AKR1B1KDM4EMEN1KMT2A
SCHEMBL23960027 0.79 AKR1B10 (0.68) AKR1B10AKR1B1AKR1A1CBR1AKR1C4

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-8852640-B2 Micelles for delivery of nitric oxide ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-10-07 US disclosed
US-20100003338-A1 Micelles for delivery of nitric oxide ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2010-01-07 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-20100003338-A1 Micelles for delivery of nitric oxide NOS2, NOS1, NOS3 AKR1B10 782/4885AKR1B1 742/4885AKR1A1 901/4885

“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.