SCHEMBL6747631

SCHEMBL6747631

[CH2]c1ccc(-c2ccc(CCC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
MCL1 Q07820 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
NISCH Q9Y2I1 1/20 0.43
THRB P10828 2/20 0.42
CA2 P00918 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
RARB P10826 4/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MGLL Q99685 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL910863 0.93 LPL (0.50) LPLLIPGNISCHTHRBCA2
SCHEMBL27871086 0.90 LPL (0.48) LPLLIPGNISCHTHRBCA2
SCHEMBL4802707 0.87 LPL (0.54) LPLLIPGMCL1HRH3NISCH
SCHEMBL27862855 0.86 RARB (0.56) HRH3NISCHTHRBCA2NPC1
SCHEMBL6745029 0.85 RARB (0.58) LPLLIPGHRH3MAPTRAB9A
SCHEMBL6747872 0.83 HSD17B10 (0.61) LPLLIPGHRH3THRBMAPT
SCHEMBL27958067 0.83 HSD17B10 (0.61) LPLLIPGHRH3THRBMAPT
SCHEMBL11566894 0.80 TAAR1 (0.54) LPLLIPGMCL1HRH3NISCH
SCHEMBL6745194 0.80 EGFR (0.48) LPLLIPGHRH3NISCHCA2
SCHEMBL142480 0.79 LPL (0.62) LPLLIPGTHRBCA2HSD17B10

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 LPL 1980/4885LIPG 2130/4885MCL1 1650/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS LPL 4132/4885LIPG 2441/4885MCL1 1360/4885

“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.