SCHEMBL2455283

SCHEMBL2455283

O=P(O)(O)C(O)(CCCCCO)P(=O)(O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 17/20 0.65
GGPS1 O95749 8/20 0.65
PDE3A Q14432 3/20 0.58
LMNA P02545 1/20 0.50
ADRB3 P13945 1/20 0.50
PDE4D Q08499 1/20 0.50
AGTR1 P30556 1/20 0.40
OPRM1 P35372 1/20 0.40
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL4097079 1.00 FDPS (0.65) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9323797 0.98 FDPS (0.64) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL10705729 0.95 FDPS (0.62) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9313278 0.90 FDPS (0.77) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL9313105 0.87 FDPS (0.74) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL15452862 0.87 FDPS (0.76) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL2461794 0.79 FDPS (0.59) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL6666352 0.79 FDPS (0.63) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL3287859 0.79 FDPS (1.00) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL6665992 0.79 FDPS (1.00) FDPSGGPS1PDE3ALMNAADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141200-B1 DIHYDROXYALKANEDIPHOSPHONIC ACIDS Henkel Kommanditgesellschaft auf Aktien (DE) 1988-07-27 EP claimed
US-4536348-A OUTSTANDING COMPLEXING POWER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-08-20 US claimed
EP-0141200-A2 Dihydroxyalkanediphosphonic acids Henkel Kommanditgesellschaft auf Aktien (DE) 1985-05-15 EP claimed
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
EP-1658392-B1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KGAA (DE) 2007-03-14 EP disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
EP-1188761-A1 Novel geminal-diphosphonic acids and their manufacture SOLVAY (Société Anonyme) (BE) 2002-03-20 EP disclosed
US-5298221-A Ferrous surfaces in contact with aqueous systems W. R. GRACE & CO. - CONN. (US) 1994-03-29 US disclosed
US-5221487-A Water treatment W. R. GRACE & CO.-CONN. (US) 1993-06-22 US disclosed
EP-0141200-B1 DIHYDROXYALKANEDIPHOSPHONIC ACIDS Henkel Kommanditgesellschaft auf Aktien (DE) 1988-07-27 EP disclosed
US-4536348-A OUTSTANDING COMPLEXING POWER HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1985-08-20 US disclosed
EP-0141200-A2 Dihydroxyalkanediphosphonic acids Henkel Kommanditgesellschaft auf Aktien (DE) 1985-05-15 EP 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF FDPS 2668/4885GGPS1 2599/4885PDE3A 49/4885

“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.