SCHEMBL6464823

SCHEMBL6464823

CCCCCNc1ccn([C@]2(CCCCC)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.42
SLC29A1 Q99808 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
HCAR3 P49019 1/20 0.33
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
MTOR P42345 1/20 0.31
MDM2 Q00987 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL6464825 1.00 P2RY2 (0.42) P2RY2SLC29A1CA1CA2PLA2G1B
SCHEMBL6060585 0.84 LMNA (0.45) SLC29A1LMNATHRBMTORMDM2
SCHEMBL25407209 0.83 LMNA (0.44) SLC29A1LMNATHRBMTORMDM2
SCHEMBL28645147 0.81 LMNA (0.46) SLC29A1LMNATHRBMTORMDM2
SCHEMBL5562051 0.78 PDE4D (0.40) SLC29A1LMNATHRBMTORMDM2
Guanidine SCHEMBL28644548 0.77 LMNA (0.43) SLC29A1LMNATHRBMTORMDM2
SCHEMBL15239320 0.76 LMNA (0.47) SLC29A1LMNATHRBMTORMDM2
SCHEMBL2546576 0.75 SLC28A1 (0.43) P2RY2SLC29A1
SCHEMBL8520771 0.75 P2RY2 (0.42) P2RY2CA1CA2PLA2G1BATG4B
SCHEMBL17748428 0.74 SLC28A1 (0.42) P2RY2SLC29A1

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-6846810-B2 Hepatitits virus ROCHE PALO ALTO LLC (US) 2005-01-25 US disclosed
US-20040121980-A1 Antiviral nucleoside derivatives ROCHE PALO ALTO LLC 2004-06-24 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-20040121980-A1 Antiviral nucleoside derivatives SLC29A1, SAMHD1, NUDT1 P2RY2 750/4885SLC29A1 1/4885CA1 4456/4885

“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.