SCHEMBL2809486

SCHEMBL2809486

CC(C)=CCc1ccc(CC(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.42
GGPS1 O95749 3/20 0.40
TRPA1 O75762 1/20 0.39
LAP3 P28838 3/20 0.36
ANPEP P15144 1/20 0.36
PTPRC P08575 1/20 0.36

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
SCHEMBL381461 0.84 FDPS (0.45) FDPSGGPS1LAP3ANPEP
SCHEMBL9633056 0.83 GGPS1 (0.41) FDPSGGPS1
SCHEMBL2807785 0.80 HMGCR (0.48) GGPS1TRPA1
SCHEMBL9633047 0.79 FDPS (0.42) FDPSGGPS1LAP3ANPEPPTPRC
SCHEMBL9632077 0.76 GGPS1 (0.47) GGPS1
SCHEMBL9632066 0.76 GGPS1 (0.47) GGPS1
SCHEMBL9638742 0.74 FDPS (0.50) FDPSLAP3ANPEP
SCHEMBL17748389 0.73 TRPA1 (0.44) GGPS1TRPA1
SCHEMBL21074632 0.72 FDPS (0.49) FDPSLAP3ANPEP
SCHEMBL743405 0.72 FDPS (0.50) FDPSLAP3ANPEPPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-09-23 US disclosed
US-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2010-09-23 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-20100240612-A1 Prenylated Bisphosphonates as Anti-tuberculosis Agents GGPS1, FDPS, DCTPP1 FDPS 2/4885GGPS1 1/4885TRPA1 3730/4885

“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.