SCHEMBL2171583

SCHEMBL2171583

O=P(O)(O)C(c1ccc(-c2ccc(C(P(=O)(O)O)P(=O)(O)O)cc2)cc1)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.65
ACP3 P15309 3/20 0.56
PGK1 P00558 8/20 0.48
PGK2 P07205 8/20 0.48
PTPN5 P54829 4/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
CA14 Q9ULX7 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
SCHEMBL9301497 0.92 SRC (0.75) SRCACP3PGK1PGK2
SCHEMBL5936840 0.82 SRC (0.62) SRCACP3PGK1PGK2CA14
SCHEMBL4093802 0.80 SRC (0.60) SRCPGK1PGK2MMP8MMP14
SCHEMBL1552133 0.80 SRC (0.60) SRCACP3PGK1PGK2MMP8
SCHEMBL744205 0.80 SRC (0.60) SRCACP3PGK1PGK2CA14
SCHEMBL9004470 0.80 POLB (0.46) SRCACP3PTPN5MMP8MMP14
SCHEMBL4094661 0.79 SRC (1.00) SRCACP3PGK1PGK2
Water SCHEMBL9146143 0.77 SRC (0.56) SRCPGK1PGK2MMP8MMP14
SCHEMBL15534136 0.75 SRC (0.54) SRCACP3PGK1PGK2
SCHEMBL9316994 0.75 SRC (0.54) SRCACP3PGK1PGK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141545-A1 Phosphonate containing photoconductors Xerox Corporation (US) 2010-01-06 EP claimed
EP-2128709-A1 Phosphonate Hole Blocking Layer Photoconductors Xerox Corporation (US) 2009-12-02 EP claimed
US-7973109-B2 Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2011-07-05 US disclosed
EP-2141545-A1 Phosphonate containing photoconductors Xerox Corporation (US) 2010-01-06 EP disclosed
EP-2128709-A1 Phosphonate Hole Blocking Layer Photoconductors Xerox Corporation (US) 2009-12-02 EP disclosed
US-20090093607-A1 Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2009-04-09 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-20090093607-A1 Crosslinked type layered metal phosphonate compound, production process therefor, non-crosslinked type layered metal phosphonate compound, production process therefor, as well as stock solution WEE1, WEE2, PPIP5K2 SRC 2441/4885ACP3 3218/4885PGK1 784/4885

“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.