SCHEMBL4585697

SCHEMBL4585697

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.36
RAB9A P51151 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 6/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
CASP1 P29466 1/20 0.35
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
KMT2A Q03164 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL4586880 0.96 NAAA (0.37) NAAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4586708 0.77 NFKB1 (0.40) GAANFKB1NFKB2KMT2ARELA
SCHEMBL6285830 0.75 NAAA (0.36) NAAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL6285824 0.70 RAB9A (0.39) NAAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4585679 0.69 EPHX1 (0.45) NAAASMN1; SMN2MAPK1GAAHTT
SCHEMBL4586036 0.68 EPHX1 (0.46) NAAASMN1; SMN2MAPK1GAAHTT
SCHEMBL4719490 0.65 GAA (0.59) NAAASMN1; SMN2MAPK1GAAHTT
SCHEMBL13387564 0.65 GAA (0.59) NAAASMN1; SMN2MAPK1GAAHTT
SCHEMBL12510922 0.64 GAA (0.51) NAAASMN1; SMN2MAPK1GAAHTT
SCHEMBL16145654 0.63 GAA (0.49) NAAASMN1; SMN2MAPK1GAAHTT

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 NAAA 686/4885RAB9A 2024/4885SMN1; SMN2 250/4885

“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.