SCHEMBL4355838

SCHEMBL4355838

NCCCOc1cc(N)cc(OCCCN)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
TSHR P16473 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
AKT1 P31749 1/20 0.38
DYRK3 O43781 1/20 0.38
ROCK2 O75116 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PIM1 P11309 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CLK2 P49760 1/20 0.38
PRKX P51817 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 1/20 0.38
PRKG1 Q13976 1/20 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
SCHEMBL16447478 0.90 TAAR1 (0.44) NOS3NOS1NOS2TAAR1AKT1
SCHEMBL5033258 0.88 TAAR1 (0.50) ALDH1A1MAPTTSHRTAAR1AKT1
SCHEMBL16172408 0.83 CSF3R (0.40) NOS3NOS1NOS2TAAR1AKT1
SCHEMBL25905990 0.80 F2 (0.48) ALDH1A1MAPTNOS3NOS1NOS2
SCHEMBL23374106 0.79 CNR1 (0.40) NOS3NOS1NOS2TAAR1
SCHEMBL18020389 0.79 PLA2G2A (0.47) MAPTTSHRHTR1B
SCHEMBL7236928 0.79 TSHR (0.66) ALDH1A1NOS3NOS1NOS2TSHR
SCHEMBL13411802 0.76 TAAR1 (0.59) ALDH1A1TAAR1AKT1DYRK3ROCK2
SCHEMBL10636078 0.76 ALDH1A1 (0.48) ALDH1A1MAPTTSHR
SCHEMBL13178113 0.76 TDP1 (0.55) ALDH1A1MAPTTSHRTAAR1

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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 US claimed
EP-2111236-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-10-28 EP disclosed
US-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM EPIX PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008087017-A2 NOVEL CASCADE POLYMER COMPLEXES, METHOD FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-24 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-20080213187-A1 NOVEL CASCADE POLYMER COMPLEXES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PGF, F13A1, F11 ALDH1A1 4573/4885MAPT 820/4885NOS3 2098/4885

“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.