SCHEMBL3898966

SCHEMBL3898966

NC1CC=C(P(=O)(O)Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABBR1 Q9UBS5 3/20 0.56
HPGD P15428 1/20 0.40
GABRR1 P24046 3/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN4 P29074 1/20 0.37
PTPN9 P43378 1/20 0.37
PTPN11 Q06124 1/20 0.37
LAP3 P28838 3/20 0.37
ANPEP P15144 3/20 0.37
TSHR P16473 2/20 0.37
ERAP1 Q9NZ08 2/20 0.35
ERAP2 Q6P179 1/20 0.35
CFTR P13569 1/20 0.34

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
SCHEMBL31590359 0.75 HPGD (0.46) HPGDPTPN2PTPN1PTPN4PTPN9
SCHEMBL3894225 0.72 GABBR1 (1.00) GABBR1GABRR1TSHR
SCHEMBL3897695 0.72 GABBR1 (1.00) GABBR1GABRR1TSHR
SCHEMBL3894140 0.72 GABBR1 (0.60) GABBR1GABRR1
SCHEMBL3898177 0.72 GABBR1 (0.60) GABBR1GABRR1
SCHEMBL31590204 0.70 HPGD (0.41) HPGDPTPN2PTPN1PTPN4PTPN9
SCHEMBL6448091 0.68 CFTR (0.64) HPGDPTPN2PTPN1PTPN4PTPN9
SCHEMBL1764685 0.66 HPGD (0.56) HPGDLAP3ANPEPTSHRERAP1
Benzylphosphonic Acid SCHEMBL44318 0.65 HPGD (0.60) HPGDLAP3ANPEPTSHRERAP1
SCHEMBL497159 0.65 HPGD (0.60) HPGDLAP3ANPEPTSHRERAP1

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-1773740-B1 NEUROLOGICALLY-ACTIVE COMPOUNDS UNIV SYDNEY (AU) 2009-02-18 EP disclosed
US-20080032950-A1 Neurologically-Active Compounds THE UNIVERSITY OF SYDNEY (AU) 2008-02-07 US disclosed
EP-1773740-A4 NEUROLOGICALLY-ACTIVE COMPOUNDS UNIV SYDNEY (AU) 2007-09-19 EP disclosed
EP-1773740-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2007-04-18 EP disclosed
WO-2006000043-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS THE UNIVERSITY OF SYDNEY (AU) 2006-01-05 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-20080032950-A1 Neurologically-Active Compounds GABRE, GABRA5, GABRA1 GABBR1 20/4885HPGD 2362/4885GABRR1 14/4885

“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.