SCHEMBL4586686

SCHEMBL4586686

CC(C)(C)ONC1C=C(P(C)(=O)O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABBR1 Q9UBS5 3/20 0.33
RGS12 O14924 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRR2 P28476 1/20 0.32
MAPK1 P28482 1/20 0.32
BLM P54132 1/20 0.32
GNAI1 P63096 1/20 0.32
PMP22 Q01453 1/20 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
SCHEMBL6286422 0.78 NFKB1 (0.47)
SCHEMBL3892270 0.66 GABBR1 (0.48) GABBR1RGS12CYP3A4TSHRGABRR1
SCHEMBL4588467 0.66 GABBR1 (0.32) GABBR1RGS12CYP3A4TSHRGABRR1
SCHEMBL31590201 0.60
SCHEMBL4589796 0.57
SCHEMBL4590569 0.53 THRB (0.36)
SCHEMBL31590156 0.51 RGS12 (0.50) GABBR1RGS12CYP3A4TSHRGABRR1
Phosphoric Acid SCHEMBL27960765 0.51 MEN1 (0.55) CYP3A4BLM
SCHEMBL3900351 0.50 GABBR1 (1.00) GABBR1RGS12CYP3A4TSHRGABRR1
SCHEMBL3894225 0.50 GABBR1 (1.00) GABBR1RGS12CYP3A4TSHRGABRR1

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 GABBR1 17/4885RGS12 987/4885CYP3A4 3810/4885

“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.