SCHEMBL4552690

SCHEMBL4552690

CCCCCCCC/C=C\CCCCCCCCCCCCC(O)(C(O)CN)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 8/20 0.48
FDPS P14324 11/20 0.47
SMPD1 P17405 2/20 0.47
MEN1 O00255 1/20 0.44
FAAH O00519 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SOAT1 P35610 1/20 0.44
KMT2A Q03164 1/20 0.44
LPAR3 Q9UBY5 1/20 0.42
S1PR4 O95977 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR5 Q9H228 2/20 0.41
S1PR2 O95136 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSPO P30536 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41

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
SCHEMBL4552171 1.00 GGPS1 (0.48) GGPS1FDPSSMPD1MEN1FAAH
SCHEMBL4566606 0.91 FDPS (0.56) GGPS1FDPSSMPD1LPAR3
SCHEMBL7554692 0.87 GGPS1 (0.49) GGPS1FDPSSMPD1MEN1FAAH
SCHEMBL7549125 0.77 FDPS (0.55) GGPS1FDPSSMPD1LPAR3
SCHEMBL7796960 0.77 FDPS (0.55) GGPS1FDPSSMPD1LPAR3
SCHEMBL4552174 0.77 FAAH (0.42) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL4552697 0.77 FAAH (0.42) MEN1FAAHTP53CYP1A2CYP3A4
SCHEMBL9422099 0.77 FDPS (0.53) GGPS1FDPSSMPD1MEN1FAAH
SCHEMBL3189568 0.76 GGPS1 (0.46) GGPS1FDPSSMPD1MEN1FAAH
SCHEMBL12821938 0.76 FDPS (0.79) GGPS1FDPSSMPD1LPAR3

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-20090324704-A1 PHOSPHATE DIESTER AMIDES MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2009-12-31 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-20090324704-A1 PHOSPHATE DIESTER AMIDES PHOSPHO1, NAPEPLD, PLCG2 GGPS1 165/4885FDPS 198/4885SMPD1 108/4885

“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.