SCHEMBL4814729

SCHEMBL4814729

O=[C]CC(=O)CCCCCCCCCBr

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.33
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 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
SCHEMBL4817524 1.00 FAAH (0.33) FAAHMAPTKMT2ALMNATSHR
SCHEMBL6658955 1.00 FAAH (0.33) FAAHMAPTKMT2ALMNATSHR
SCHEMBL4814201 1.00 FAAH (0.33) FAAHMAPTKMT2ALMNATSHR
SCHEMBL29259719 0.91
SCHEMBL11553771 0.80 MAPT (0.44) FAAHMAPTKMT2ALMNATSHR
SCHEMBL19816441 0.79 MAPT (0.37) MAPTKMT2ALMNATSHRNFKB1
SCHEMBL3992011 0.77 KMT2A (0.56) MAPTKMT2ATSHR
SCHEMBL3987319 0.77 KMT2A (0.56) MAPTKMT2ATSHR
SCHEMBL3993682 0.77 KMT2A (0.56) MAPTKMT2ATSHR
SCHEMBL3987265 0.77 KMT2A (0.56) MAPTKMT2ATSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371779-B2 Synergistic compositions of N-acylhomoserine lactones and 4-quinolones THE SECRETARY OF STATE FOR DEFENSE SCIENCE AND TECHNOLOGY (GB) 2008-05-13 US claimed
US-20050014751-A1 Use of n-acyl homoserine lactones for the treatment of insulitis THE UNIVERSITY OF NOTTINGHAM (GB) 2005-01-20 US claimed
US-20040259942-A1 Modulation of stat activity SHAW PETER (GB) 2004-12-23 US claimed
EP-1404315-B1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES UNIV NOTTINGHAM (GB) 2004-11-03 EP claimed
US-20040198978-A1 Synergistic compositions of n-acylhomoserine lactones and 4-quinolones THE SECRETARY OF STATE FOR DEFENCE (GB) 2004-10-07 US claimed
EP-1427406-A2 MODULATION OF STAT ACTIVITY University of Nottingham (GB) 2004-06-16 EP claimed
EP-1425274-A1 USE OF N-ACYL HOMOSERINE LACTONES FOR THE TREATMENT OF INSULITIS THE UNIVERSITY OF NOTTINGHAM (GB) 2004-06-09 EP claimed
EP-1404315-A1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2004-04-07 EP claimed
US-20030171371-A1 Immunosuppressant n-acyles homoserine lactones THE UNIVERSITY OF NOTTINGHAM (GB) 2003-09-11 US claimed
WO-2003026641-A2 MODULATION OF STAT ACTIVITY UNIVERSITY OF NOTTINGHAM (GB) 2003-04-03 WO claimed
WO-2003022828-A1 USE OF N-ACYL HOMOSERINE LACTONES FOR THE TREATMENT OF INSULITIS THE UNIVERSITY OF NOTTINGHAM (GB) 2003-03-20 WO claimed
WO-2003004017-A1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2003-01-16 WO claimed
EP-1268459-A1 IMMUNOSUPPRESSANT N-ACYL HOMOSERINE LACTONES THE UNIVERSITY OF NOTTINGHAM (GB) 2003-01-02 EP claimed
WO-2001074801-A1 IMMUNOSUPPRESSANT N-ACYLES HOMOSERINE LACTONES UNIVERSITY OF NOTTINGHAM (GB) 2001-10-11 WO claimed
US-7371779-B2 Synergistic compositions of N-acylhomoserine lactones and 4-quinolones THE SECRETARY OF STATE FOR DEFENSE SCIENCE AND TECHNOLOGY (GB) 2008-05-13 US disclosed
US-20050014751-A1 Use of n-acyl homoserine lactones for the treatment of insulitis THE UNIVERSITY OF NOTTINGHAM (GB) 2005-01-20 US disclosed
US-20040259942-A1 Modulation of stat activity SHAW PETER (GB) 2004-12-23 US disclosed
WO-2003026641-A2 MODULATION OF STAT ACTIVITY UNIVERSITY OF NOTTINGHAM (GB) 2003-04-03 WO disclosed
WO-2003022828-A1 USE OF N-ACYL HOMOSERINE LACTONES FOR THE TREATMENT OF INSULITIS THE UNIVERSITY OF NOTTINGHAM (GB) 2003-03-20 WO disclosed
WO-2003004017-A1 SYNERGISTIC COMPOSITIONS OF N-ACYLHOMOSERINE LACTONES AND 4-QUINOLONES THE UNIVERSITY OF NOTTINGHAM (GB) 2003-01-16 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 (4 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-20040259942-A1 Modulation of stat activity STAT3, STAT1, STAT4 FAAH 2550/4885MAPT 4800/4885KMT2A 2237/4885
US-20050014751-A1 Use of n-acyl homoserine lactones for the treatment of insulitis HPGDS, CD14, IFNG FAAH 299/4885MAPT 4663/4885KMT2A 4475/4885
US-20030171371-A1 Immunosuppressant n-acyles homoserine lactones MSR1, IL4, SRR FAAH 358/4885MAPT 4833/4885KMT2A 3356/4885
US-20040198978-A1 Synergistic compositions of n-acylhomoserine lactones and 4-quinolones CBR3, CBR1, CNR1 FAAH 412/4885MAPT 4873/4885KMT2A 2471/4885

“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.