SCHEMBL6748943

SCHEMBL6748943

[CH2]c1ccc(Oc2ccccc2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.58
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NTRK1 P04629 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
NTRK2 Q16620 1/20 0.47
LTA4H P09960 1/20 0.45
NQO1 P15559 1/20 0.42
AR P10275 2/20 0.42
CA4 P22748 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP1A2 P05177 2/20 0.41

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
SCHEMBL98414 0.88 LTA4H (0.46) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL11784875 0.81 CA12 (0.65) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL27090 0.80 CA2 (0.54) ALDH1A1MAPK1CA4CA12CA1
SCHEMBL6150987 0.79 ACHE (0.63) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL10544680 0.79 LTA4H (0.41) TTRMAPK1HTTL3MBTL1LTA4H
SCHEMBL2096836 0.79 HTT (0.79) ALDH1A1MAPK1HTTL3MBTL1LTA4H
SCHEMBL1129837 0.78 TTR (0.58) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL5537743 0.78 ALDH1A1 (0.59) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL3811355 0.78 TTR (0.58) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL15171109 0.78 TTR (0.58) TTRALDH1A1MAPK1HTTL3MBTL1

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
EP-1016670-B1 Glycopeptide antibiotic derivatives LILLY CO ELI (US) 2003-09-03 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

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 TTR 1864/4885ALDH1A1 1409/4885MAPK1 1794/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS TTR 402/4885ALDH1A1 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.