SCHEMBL6748588

SCHEMBL6748588

[CH2]c1c(OCC)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CXCR5 P32302 1/20 0.41
DHFR P00374 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2096655 0.86 MEN1 (0.53) MAPTTDP1TSHRGAAL3MBTL1
SCHEMBL30142113 0.81 ALOX5 (0.65) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL2045141 0.81 ALOX5 (0.65) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL2847505 0.79 ALOX5 (0.51) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL3147510 0.79 ALOX5 (0.51) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL6217456 0.79 ALDH1A1 (0.56) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL10136521 0.79 NCEH1 (0.54) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL25204 0.79 MAPT (0.64) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL1402288 0.78 ALOX5 (0.50) ALOX5ALDH1A1MAPK1HPGDKDM4E
SCHEMBL1807916 0.78 ALOX5 (0.50) ALOX5ALDH1A1MAPK1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same KAHNE DANIEL (US) 2004-06-10 US disclosed
US-6699836-B2 Vancomycin analogs THE TRUSTEES OF PRINCETON UNIVERSITY 2004-03-02 US disclosed
EP-0667353-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-10-29 EP disclosed
US-6518243-B1 Desleucyl glycopeptide antibiotics and methods of making same TRUSTEES OF PRINCETON UNIVERSITY 2003-02-11 US disclosed
EP-1173193-A4 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME UNIV PRINCETON (US) 2003-01-29 EP disclosed
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US disclosed
EP-1173193-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME The Trustees of Princeton University (US) 2002-01-23 EP disclosed
WO-2000059528-A1 DESLEUCYL GLYCOPEPTIDE ANTIBIOTICS AND METHODS OF MAKING SAME THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2000-10-12 WO disclosed
EP-1016670-A1 Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
US-5977062-A ACTIVE AGAINST ANTIBIOTIC RESISTANT BACTERIA ELI LILLY AND COMPANY (US) 1999-11-02 US disclosed
US-5840684-A Glycopeptide antibiotic derivatives ELI LILLY AND COMPANY (US) 1998-11-24 US 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 (2 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-20040110665-A1 Desleucyl glycopeptide antibiotics and methods of making same FUT6, FUT5, ST6GAL1 ALOX5 2649/4885ALDH1A1 1409/4885MAPK1 1794/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS ALOX5 4356/4885ALDH1A1 4049/4885MAPK1 1271/4885

“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.