SCHEMBL5493018

SCHEMBL5493018

CCC(N)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 18/20 0.54
GGPS1 O95749 7/20 0.48
PDE3A Q14432 3/20 0.48
LMNA P02545 1/20 0.48
ADRB3 P13945 1/20 0.48
PDE4D Q08499 1/20 0.48
LAP3 P28838 1/20 0.40
AGTR1 P30556 1/20 0.40
OPRM1 P35372 1/20 0.40

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
Alendronic Acid SCHEMBL27939383 0.83 FDPS (0.65) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9190293 0.82 FDPS (0.56) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL28355003 0.74 FDPS (0.47) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL12570894 0.74 FDPS (0.56) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL29648124 0.73
SCHEMBL7032261 0.73 FDPS (0.46) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL24616674 0.72 FDPS (0.48) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL4663730 0.72 FDPS (0.59) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL4093004 0.72 FDPS (0.86) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL14391031 0.72 ALDH1A1 (0.43)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-04-05 US 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-20070078082-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CD44, CSGALNACT1 FDPS 4229/4885GGPS1 3855/4885PDE3A 2085/4885

“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.