SCHEMBL5010331

SCHEMBL5010331

NCCCCC(N)C(=O)OC(=O)CCC(=O)OC(=O)C(N)CCCCN

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CYP1A2 P05177 1/20 0.38
DPP7 Q9UHL4 8/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 4/20 0.38
DPP4 P27487 2/20 0.38
CPB2 Q96IY4 3/20 0.38
FOLH1 Q04609 1/20 0.38
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
FAP Q12884 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
SCHEMBL1191631 1.00 GSR (0.53) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL8836488 0.98 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
Water SCHEMBL5501375 0.98 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL8836895 0.98 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL237121 0.94 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL1065054 0.94 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL8759024 0.94 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL8950857 0.94 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP
SCHEMBL3780217 0.94 GSR (0.45) GSRGNAI3GNAO1GNAI1CYP1A2
SCHEMBL5010336 0.93 GSR (0.52) GSRGNAI3GNAO1GNAI1RNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234222-A1 Charge Reversal of Polyion Complexes ROCHE MADISON INC. 2008-09-25 US disclosed
US-7396919-B1 Charge reversal of polyion complexes MIRUS BIO CORPORATION (US) 2008-07-08 US disclosed
EP-1209971-A4 CHARGE REVERSAL OF POLYION COMPLEXES MIRUS CORP (US) 2004-04-14 EP disclosed
US-20030236214-A1 Charge reversal of polyion complexes and treatment of peripheral occlusive disease WOLFF JON A (US) 2003-12-25 US disclosed
EP-1098632-A4 CHARGE REVERSAL OF POLYION COMPLEXES MIRUS CORP (US) 2002-09-04 EP disclosed
EP-1209971-A1 CHARGE REVERSAL OF POLYION COMPLEXES Mirus Corporation (US) 2002-06-05 EP disclosed
US-20020052335-A1 Charge reversal of polyion complexes MIRUS BIO CORPORATION 2002-05-02 US disclosed
EP-1098632-A1 CHARGE REVERSAL OF POLYION COMPLEXES Mirus Corporation (US) 2001-05-16 EP disclosed
WO-2001013723-A1 CHARGE REVERSAL OF POLYION COMPLEXES MIRUS CORPORATION (US) 2001-03-01 WO disclosed
WO-2000003694-A1 CHARGE REVERSAL OF POLYION COMPLEXES MIRUS CORPORATION (US) 2000-01-27 WO 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-20020052335-A1 Charge reversal of polyion complexes POLRMT, PARN, POLN GSR 1991/4885GNAI3 1780/4885GNAO1 3062/4885

“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.