SCHEMBL6746220

SCHEMBL6746220

[CH2]c1ccc(OCCCC=C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HTT P42858 2/20 0.38
KCNA3 P22001 1/20 0.38
ESR1 P03372 1/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
NQO1 P15559 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
PRSS1 P07477 1/20 0.34
TMPRSS2 O15393 1/20 0.34
LTA4H P09960 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL8553182 0.85 L3MBTL1 (0.61) ALDH1A1L3MBTL1HTTKCNA3HDAC1
SCHEMBL15365357 0.83 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTKCNA3HDAC1
SCHEMBL29565615 0.82 L3MBTL1 (0.59) ALDH1A1L3MBTL1KDM4ECHRNA7LTA4H
SCHEMBL12370711 0.82 L3MBTL1 (0.59) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL10649496 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10647268 0.82 L3MBTL1 (0.59) ALDH1A1L3MBTL1HTTHPGDKDM4E
SCHEMBL11323712 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1HTTHPGDSMN1; SMN2
SCHEMBL14330060 0.82 L3MBTL1 (0.59) ALDH1A1L3MBTL1HTTHPGDKDM4E
SCHEMBL6675914 0.82 ALDH1A1 (0.64) ALDH1A1L3MBTL1ESR1CHRNB2CHRNB4
SCHEMBL28191446 0.82 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LTA4H

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 10 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

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 ALDH1A1 1409/4885L3MBTL1 190/4885HTT 4232/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS ALDH1A1 4049/4885L3MBTL1 386/4885HTT 3606/4885

“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.