SCHEMBL6746274

SCHEMBL6746274

[CH2]c1ccc(-c2ccc(C)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
AR P10275 1/20 0.35
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN5 P54829 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
KIF11 P52732 1/20 0.32
DHODH Q02127 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
SCHEMBL40588 0.79
SCHEMBL19512371 0.77 TDP1 (0.46) TDP1ALDH1A1CYP3A4ACHEMEN1
SCHEMBL1047499 0.77 TDP1 (0.46) TDP1ALDH1A1CYP3A4TSHRMCL1
SCHEMBL19618901 0.73 ESR2 (0.43) TDP1ALDH1A1CYP3A4TSHRMCL1
SCHEMBL22111431 0.73 ESR2 (0.43) TDP1ALDH1A1CYP3A4TSHRMCL1
SCHEMBL18661495 0.72 ACHE (0.73) TDP1ALDH1A1TSHRMCL1ACHE
SCHEMBL3287696 0.72 ACHE (0.73) TDP1ALDH1A1TSHRMCL1ACHE
SCHEMBL197731 0.72 ACHE (0.73) TDP1ALDH1A1TSHRMCL1ACHE
SCHEMBL22872154 0.72 TDP1 (0.44) TDP1ALDH1A1CYP3A4TSHRMCL1
SCHEMBL25106862 0.71 TDP1 (0.41) TDP1ALDH1A1CYP3A4TSHRMCL1

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 12 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-2001081372-A2 VANCOMYCIN ANALOGS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2001-11-01 WO 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 TDP1 2916/4885ALDH1A1 1409/4885CYP3A4 1761/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS TDP1 4793/4885ALDH1A1 4049/4885CYP3A4 706/4885

“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.