SCHEMBL6045245

SCHEMBL6045245

CCC(C)CCNCCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 20/20 0.46
GGPS1 O95749 7/20 0.42
PDE3A Q14432 3/20 0.41
LMNA P02545 1/20 0.41
ADRB3 P13945 1/20 0.41
PDE4D Q08499 1/20 0.41
AGTR1 P30556 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL11519128 0.78 FDPS (0.61) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL11518735 0.76 FDPS (0.58) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL10403160 0.75 FDPS (0.47) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL28434632 0.74 FDPS (0.66) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL277292 0.73 CYP2C19 (0.32)
SCHEMBL4099176 0.72 FDPS (0.67) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL140141 0.72 FDPS (0.38) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL11518533 0.72 FDPS (0.52) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL8048683 0.71 FDPS (0.47) FDPSGGPS1PDE3ALMNAADRB3
SCHEMBL140140 0.71 FDPS (0.39) FDPS

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
US-6696427-B1 ADMINISTERING PHOSPHORUS COMPOUNDS SUCH AS AMINO-HYDROXY-METHYLIDENE-BISPHOSPHONIC ACID, TO DEACTIVATE LYMPHOCYTES AND AS VIRICIDES, BACTERICIDES, FUNGICIDES OR PARASITICIDES JOMAA PHARMAKA GMBH (DE) 2004-02-24 US claimed
EP-1140113-B1 USE OF BISPHOSPHONATES FOR THE PREVENTION AND TREATMENT OF INFECTIOUS PROCESSES BIOAGENCY AG (DE) 2003-11-05 EP claimed
US-20060040899-A1 Medicaments containing bisphosphonic acids and derivatives thereof for preventing and treating diseases and allergies JOMAA HASSAN 2006-02-23 US disclosed
US-6696427-B1 ADMINISTERING PHOSPHORUS COMPOUNDS SUCH AS AMINO-HYDROXY-METHYLIDENE-BISPHOSPHONIC ACID, TO DEACTIVATE LYMPHOCYTES AND AS VIRICIDES, BACTERICIDES, FUNGICIDES OR PARASITICIDES JOMAA PHARMAKA GMBH (DE) 2004-02-24 US disclosed
EP-0563096-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 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-20060040899-A1 Medicaments containing bisphosphonic acids and derivatives thereof for preventing and treating diseases and allergies ENPP2, BPGM, HRH2 FDPS 454/4885GGPS1 216/4885PDE3A 1330/4885

“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.