SCHEMBL4906431

SCHEMBL4906431

C=C(Br)CC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 19/20 0.42
PDE3A Q14432 2/20 0.42
LMNA P02545 1/20 0.42
ADRB3 P13945 1/20 0.42
PDE4D Q08499 1/20 0.42
GGPS1 O95749 8/20 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
SCHEMBL3049013 0.69 GGPS1 (0.48) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6665191 0.69 FDPS (0.48) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL24616673 0.67 FDPS (0.68) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL24616672 0.67 FDPS (0.52) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6669718 0.67 FDPS (0.46) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL2702334 0.65 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9614498 0.65 FDPS (0.39) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL11498890 0.63 FDPS (0.42) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL6667332 0.63 FDPS (0.48) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL15411105 0.63 FDPS (0.48) FDPSPDE3ALMNAADRB3PDE4D

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-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-08-21 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-20080200679-A1 Alpha-HYDROXY, alpha-SUBSTITUTED METHYLENEBISPHOSPHONATES AND PHOSPHONOACETATES GRHPR, PHPT1, PHYKPL FDPS 284/4885PDE3A 2692/4885LMNA 3681/4885

“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.