SCHEMBL4813080

SCHEMBL4813080

C=CCCCCCCCCCC(O)C[C]=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
USP2 O75604 4/20 0.49
MAPT P10636 4/20 0.49
CYP3A4 P08684 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
ABCC4 O15439 1/20 0.41
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
RECQL P46063 1/20 0.36
TRPA1 O75762 2/20 0.34
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL31438712 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL4012822 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL15027430 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL10081536 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL517696 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL31540500 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL27039953 0.83 USP2 (0.53) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL10081314 0.80 USP2 (0.50) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL7296270 0.78 MAPT (0.41) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2
SCHEMBL7290348 0.78 MAPT (0.41) ALDH1A1USP2MAPTCYP3A4SMN1; SMN2

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 ALDH1A1 3710/4885USP2 2223/4885MAPT 4800/4885
US-20050014751-A1 Use of n-acyl homoserine lactones for the treatment of insulitis HPGDS, CD14, IFNG ALDH1A1 3938/4885USP2 729/4885MAPT 4663/4885
US-20030171371-A1 Immunosuppressant n-acyles homoserine lactones MSR1, IL4, SRR ALDH1A1 3041/4885USP2 2784/4885MAPT 4833/4885
US-20040198978-A1 Synergistic compositions of n-acylhomoserine lactones and 4-quinolones CBR3, CBR1, CNR1 ALDH1A1 2586/4885USP2 3982/4885MAPT 4873/4885

“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.