SCHEMBL4586880

SCHEMBL4586880

CCCCOC(=O)NC1C=C(CCCCC[PH](=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 2/20 0.35
CASP1 P29466 1/20 0.34
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
EPHX1 P07099 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
SCHEMBL4585697 0.96 NAAA (0.36) NAAASMN1; SMN2GAAMAPK1HTT
SCHEMBL4586708 0.82 NFKB1 (0.40) GAANFKB1NFKB2KMT2ARELA
SCHEMBL4586907 0.77 NFKB1 (0.41) GAANFKB1NFKB2KMT2ARELA
SCHEMBL6285830 0.73 NAAA (0.36) NAAASMN1; SMN2GAAMAPK1HTT
SCHEMBL4586036 0.70 EPHX1 (0.46) NAAASMN1; SMN2GAAMAPK1HTT
SCHEMBL6285824 0.68 RAB9A (0.39) NAAASMN1; SMN2GAAMAPK1HTT
SCHEMBL4585679 0.68 EPHX1 (0.45) NAAASMN1; SMN2GAAMAPK1HTT
SCHEMBL4586822 0.67
SCHEMBL4585702 0.66 OAT (0.31)
SCHEMBL13387564 0.64 GAA (0.59) NAAASMN1; SMN2GAAMAPK1HTT

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-1458669-A4 NEUOROLOGICALLY-ACTIVE COMPOUNDS UNIV SYDNEY (AU) 2008-10-29 EP 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 NAAA 686/4885SMN1; SMN2 250/4885GAA 1636/4885

“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.