SCHEMBL4587058

SCHEMBL4587058

CCCCP(=O)(O)C1CCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
GABBR2 O75899 1/20 0.36
GABRR1 P24046 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
LPAR3 Q9UBY5 3/20 0.35
LPAR2 Q9HBW0 1/20 0.35
S1PR5 Q9H228 4/20 0.35
S1PR2 O95136 2/20 0.35
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 4/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31

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
SCHEMBL4586270 0.81 GABBR2 (0.39) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL4586126 0.81 GABBR2 (0.39) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL4586130 0.81 GABBR2 (0.39) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL20575082 0.77 S1PR1 (0.41) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL4587154 0.76 LPAR3 (0.41) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL4593636 0.76 LPAR3 (0.41) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL4587158 0.76 LPAR3 (0.41) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL7856958 0.76 S1PR1 (0.41) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL28091034 0.73 S1PR1 (0.39) S1PR4S1PR1S1PR3GABBR2GABRR1
SCHEMBL4588027 0.70 PPM1D (0.35) S1PR4S1PR1S1PR3

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 S1PR4 2623/4885S1PR1 1634/4885S1PR3 1836/4885

“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.