SCHEMBL2580879

SCHEMBL2580879

NCCCCCC[C@]1(n2ccc(N)nc2=O)C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.41
PDE4D Q08499 1/20 0.41
SLC29A1 Q99808 1/20 0.41
LMNA P02545 4/20 0.41
THRB P10828 1/20 0.41
MTOR P42345 1/20 0.41
MDM2 Q00987 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
CACNA1F O60840 2/20 0.38
ALB P02768 2/20 0.38
MAPT P10636 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRB1 P08588 1/20 0.31
DNMT1 P26358 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
SCHEMBL8660992 0.93 PDE3A (0.42) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL7775023 0.92 PDE3A (0.44) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL5155774 0.90 PDE3A (0.41) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL4971926 0.86 PDE3A (0.46) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL7776347 0.84 PDE3A (0.36) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL1962181 0.84 PDE3A (0.45) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL28805006 0.82 PDE3A (0.43) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL6408356 0.81 PDE3A (0.43) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL16245248 0.81 PDE3A (0.45) PDE3APDE4DSLC29A1LMNATHRB
SCHEMBL31342963 0.81 PDE3A (0.45) PDE3APDE4DSLC29A1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048659-B1 Conjugated polymer tag complexes LEIF ROBERT C 2011-11-01 US disclosed
US-6825331-B2 DIAGNOSTIC HYBRIDIZATION PROBES; BIOCHEMICAL CONJUGATION ISIS PHARMACEUTICALS, INC. 2004-11-30 US disclosed
US-20030113769-A1 Aminooxy functionalized oligomers, oligomer arrays and methods of using them IONIS PHARMACEUTICALS, INC. 2003-06-19 US disclosed
US-6576752-B1 Oligonucleotide comprising a plurality of nucleotide units of given structure; useful for diagnostic, therapeutic and investigative purposes ISIS PHARMACEUTICALS, INC. 2003-06-10 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-20030113769-A1 Aminooxy functionalized oligomers, oligomer arrays and methods of using them RNGTT, RNMT, DCLRE1B PDE3A 4335/4885PDE4D 3960/4885SLC29A1 759/4885

“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.