SCHEMBL5043804

SCHEMBL5043804

CON(C)C(=O)COC(C)(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.40
KCNN4 O15554 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.36
CES1 P23141 1/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
DRD2 P14416 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5798680 0.86 KCNN4 (0.40) MAPK1KCNN4CYP2C19HIF1AKMT2A
SCHEMBL5038981 0.78 ALOX15 (0.52) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL13865453 0.76 CYP2C19 (0.42) KCNN4CYP2C19HIF1ARAB9ACES1
SCHEMBL1445666 0.74 MEN1 (0.31) KMT2AMEN1RAB9A
SCHEMBL4842036 0.73 SMN1; SMN2 (0.63) ALOX15MAPK1KMT2AMEN1RAB9A
SCHEMBL13050382 0.72 KIF11 (0.45)
SCHEMBL343793 0.71 KMT2A (0.50) ALDH1A1ALOX15MAPK1KCNN4CYP2C19
SCHEMBL4234185 0.71 NPC1 (0.47) ALDH1A1MAPK1RAB9AMAPTSMN1; SMN2
SCHEMBL28964314 0.71 SMN1; SMN2 (0.39) ALDH1A1KCNN4CYP2C19HIF1AKDM4E
SCHEMBL14065576 0.71 TRPV1 (0.47) KMT2AMEN1RAB9AKDM4EPOLB

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 ALDH1A1 1316/4885ALOX15 397/4885MAPK1 3831/4885

“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.