SCHEMBL5039417

SCHEMBL5039417

[O-][N+](=CCOCc1ccccc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.34
SGMS2 Q8NHU3 1/20 0.33
FOXM1 Q08050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
G6PC1 P35575 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 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
SCHEMBL5043823 0.79 POLB (0.39) POLBGAA
SCHEMBL5671664 0.77 POLB (0.40) TSHRPOLBGAALMNAALDH1A1
SCHEMBL6155350 0.72 KDM4E (0.48) TSHRPOLBGAALMNAFOXM1
SCHEMBL6154828 0.72 KDM4E (0.48) TSHRPOLBGAALMNAFOXM1
SCHEMBL3334310 0.71 TSHR (0.48) TSHRPOLB
SCHEMBL3334314 0.71 TSHR (0.48) TSHRPOLB
SCHEMBL4068077 0.71 TSHR (0.44) TSHRLMNACTSLCTSBCTSK
SCHEMBL5046250 0.71 NPC1 (0.42) TSHRPOLBGAAALDH1A1
SCHEMBL6154957 0.70 GAA (0.48) TSHRPOLBGAALMNAFOXM1
SCHEMBL5038975 0.69 TSHR (0.45) TSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677745-A4 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS INC (US) 2008-10-22 EP disclosed
EP-1677745-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-07-12 EP disclosed
US-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders RENOVIS, INC. 2005-09-01 US disclosed
WO-2005037208-A2 NITRONE COMPOUNDS PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-04-28 WO 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-20050192281-A1 Nitrone compounds, prodrugs and pharmaceuticals compositons of the same to treat human disorders NLN, NQO1, OPRL1 TSHR 3020/4885POLB 1120/4885GAA 632/4885

“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.