SCHEMBL4586040

SCHEMBL4586040

CCCCOC(=O)NC1CCC(C(CCCC)[PH](=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
METAP1 P53582 1/20 0.36
EPHX1 P07099 3/20 0.35
NAAA Q02083 2/20 0.35
HSD11B1 P28845 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
GBA2 Q9HCG7 1/20 0.32
ACHE P22303 3/20 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
SCHEMBL4585682 0.92 GAA (0.43) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL4719490 0.76 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL13387564 0.76 GAA (0.59) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL30581344 0.74 GAA (0.51) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL16146100 0.73 GAA (0.54) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL4585679 0.73 EPHX1 (0.45) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL27688528 0.72 GAA (0.50) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL30827617 0.72 GAA (0.50) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL4586036 0.71 EPHX1 (0.46) GAAMAPK1HTTSMN1; SMN2EPHX1
SCHEMBL16526220 0.71 GAA (0.66) GAAMAPK1HTTSMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458669-A4 NEUOROLOGICALLY-ACTIVE COMPOUNDS UNIV SYDNEY (AU) 2008-10-29 EP disclosed
US-6962907-B2 Neurologically-active compounds THE UNIVERSITY OF SYDNEY (AU) 2005-11-08 US disclosed
US-20050004083-A1 Neurologically-active compounds NEURO THERAPEUTICS LIMITED (AU) 2005-01-06 US disclosed
EP-1458669-A1 NEUOROLOGICALLY-ACTIVE COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2004-09-22 EP disclosed
WO-2003045897-A1 NEOROLOGICALLY-ACTIVE COMPOUNDS UNIVERSITY OF SYDNEY (AU) 2003-06-05 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-20050004083-A1 Neurologically-active compounds GABRA2, GABRA5, GABRE GAA 1636/4885MAPK1 777/4885HTT 733/4885

“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.