SCHEMBL648887

SCHEMBL648887

CCOCCOCCOCCOCC(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.54
NOS1 P29475 2/20 0.54
NOS2 P35228 2/20 0.54
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
SLC1A3 P43003 4/20 0.39
SLC1A2 P43004 4/20 0.39
SLC1A1 P43005 4/20 0.39
P2RY10 O00398 2/20 0.39
SLC7A5 Q01650 1/20 0.39
GRIK1 P39086 4/20 0.38
GRIK2 Q13002 2/20 0.37
THRB P10828 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
SLC1A5 Q15758 1/20 0.37
GRIA4 P48058 1/20 0.36
GRIK3 Q13003 1/20 0.36
GRIK5 Q16478 1/20 0.36
IDO1 P14902 1/20 0.35

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
SCHEMBL15992736 1.00 NOS3 (0.54) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL10698408 0.87
SCHEMBL1532102 0.87
SCHEMBL1287221 0.87
SCHEMBL25660616 0.84 NOS3 (0.57) NOS3NOS1NOS2ALDH1A1TSHR
SCHEMBL9450989 0.84 NOS3 (0.54) NOS3NOS1NOS2SLC1A3SLC1A2
SCHEMBL1278536 0.84 NOS3 (0.54) NOS3NOS1NOS2SLC1A3SLC1A2
SCHEMBL9179525 0.84 NOS3 (0.50) NOS3NOS1NOS2SLC1A3SLC1A2
SCHEMBL9179523 0.84 NOS3 (0.50) NOS3NOS1NOS2SLC1A3SLC1A2
SCHEMBL24633956 0.83 NOS3 (0.58) NOS3NOS1NOS2SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017189715-A1 MODIFIED PIGMENT EPITHELIUM-DERIVED FACTOR (PEDF) PEPTIDES AND USES THEREOF FOR TREATING NEOVASCULAR DISEASES, INFLAMMATORY DISEASES, CANCER, AND FOR CYTOPROTECTION NORTHWESTERN UNIVERSITY (US) 2017-11-02 WO disclosed
EP-3215189-A1 POLYMER ADJUVANT Oxford University Innovation Limited (GB) 2017-09-13 EP disclosed
WO-2016055812-A1 POLYMER ADJUVANT ISIS INNOVATION LIMITED (GB) 2016-04-14 WO disclosed
US-8138338-B2 Aurora kinase inhibitors from an encoded small molecule library GLAXOSMITHKLINE LLC (US) 2012-03-20 US disclosed
US-8119798-B2 P38 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2012-02-21 US disclosed
US-20100120772-A1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-05-13 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-20100120772-A1 P38 KINASE INHIBITORS MAPK1, MAPK7, MAPKAPK2 NOS3 327/4885NOS1 227/4885NOS2 167/4885

“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.