SCHEMBL4589798

SCHEMBL4589798

O=C=NCCCCCCCCCCN1C(=O)C=CC1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.63
FAAH O00519 5/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
MAPT P10636 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
HSP90AA1 P07900 1/20 0.63
TLR9 Q9NR96 1/20 0.63
TP53 P04637 1/20 0.63
PKM P14618 1/20 0.63
HPGD P15428 1/20 0.63
XBP1 P17861 1/20 0.63
MAPK1 P28482 1/20 0.63
HTT P42858 1/20 0.63
RECQL P46063 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GPR35 Q9HC97 1/20 0.63
GPR55 Q9Y2T6 1/20 0.63
PTGS1 P23219 7/20 0.53

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
SCHEMBL473707 1.00 MGLL (0.63) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL4589431 0.92 MGLL (0.58) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL18952969 0.84 MGLL (0.50) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL26107057 0.82 MGLL (0.37) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL1985393 0.82 MGLL (0.37) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL3616721 0.82 MGLL (0.77) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL18350795 0.81 MGLL (0.59) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL16060512 0.81 MGLL (0.59) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL258626 0.79 MGLL (1.00) MGLLFAAHALDH1A1LMNAMAPT
SCHEMBL818349 0.79 MGLL (1.00) MGLLFAAHALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use BERGER MARKUS 2008-07-10 US disclosed
US-7335775-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2008-02-26 US disclosed
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-04-19 US disclosed
US-7129254-B2 Effector conjugates, process for their production and their pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 2006-10-31 US disclosed
EP-1524979-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE Schering AG (DE) 2005-04-27 EP disclosed
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use SCHERING AG (DE) 2005-02-03 US disclosed
WO-2004012735-A2 NEW EFFECTOR CONJUGATES, PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SCHERING AG (DE) 2004-02-12 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 (3 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-20080166362-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MGLL 4433/4885FAAH 4547/4885ALDH1A1 1845/4885
US-20050026971-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MGLL 4433/4885FAAH 4547/4885ALDH1A1 1845/4885
US-20070088060-A1 New effector conjugates, process for their production and their pharmaceutical use EPOR, TIE1, TEK MGLL 4433/4885FAAH 4547/4885ALDH1A1 1845/4885

“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.