SCHEMBL6748710

SCHEMBL6748710

[CH2]c1ccc(OCCCC(C)S)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
RARB P10826 1/20 0.36
EPHX2 P34913 1/20 0.36
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3357697 0.81 KCNA3 (0.58) TDP1LTA4H
SCHEMBL10607155 0.78 RARB (0.54) TDP1MAPK1RARBEPHX2L3MBTL1
SCHEMBL98351 0.76 LTA4H (0.57) LTA4H
SCHEMBL19549608 0.74 TDP1 (0.50) TDP1KMT2AMAPK1RARBEPHX2
SCHEMBL22282470 0.74 TDP1 (0.50) TDP1KMT2AMAPK1RARBEPHX2
SCHEMBL15301868 0.74 TDP1 (0.50) TDP1KMT2AMAPK1RARBEPHX2
SCHEMBL22579845 0.73 DRD2 (0.48) TDP1MEN1KMT2AMAPK1EPHX2
SCHEMBL1119457 0.72 NR5A1 (0.62) RARBLTA4H
SCHEMBL27111189 0.72 TDP1 (0.52) TDP1MEN1KMT2AMAPK1EPHX2
SCHEMBL910297 0.71 LTA4H (0.55) MEN1KMT2AMAPK1L3MBTL1LTA4H

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 7 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
US-20020042365-A1 Vancomycin analogs TRUSTEES OF PRINCETON UNIVERSITY, THE 2002-04-11 US 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 2916/4885MEN1 1692/4885KMT2A 3866/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS TDP1 4793/4885MEN1 1737/4885KMT2A 3844/4885

“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.