SCHEMBL6746286

SCHEMBL6746286

[CH2]c1ccc(OC)c(OCC2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PDE4B Q07343 10/20 0.46
PDE4A P27815 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
ELANE P08246 1/20 0.42
EPHA2 P29317 1/20 0.42
KDR P35968 1/20 0.42
EPHB4 P54760 1/20 0.42
C5AR1 P21730 1/20 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
SCHEMBL6748767 0.87 APOBEC3G (0.46) PARP15PARP10SLC6A4HTR6C5AR1
SCHEMBL4422871 0.86 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D
SCHEMBL5704506 0.80 PARP15 (0.51) PARP15PARP10PDE4BPDE4APDE4C
SCHEMBL9733843 0.78 ALDH1A1 (0.57) PARP15PARP10PDE4BPDE4APDE4C
SCHEMBL18361619 0.78 PDE4B (0.50) PARP15PARP10PDE4BPDE4APDE4C
SCHEMBL12508471 0.77 PDE4B (0.58) PARP15PARP10PDE4BPDE4APDE4C
SCHEMBL14220732 0.77 NPC1 (0.58) PARP15PARP10SLC6A4HTR6ELANE
SCHEMBL14084720 0.77 PARP15 (0.58) PARP15PARP10PDE4BPDE4APDE4C
SCHEMBL12395060 0.77 PARP10 (0.65) PARP15PARP10SLC6A4HTR6ELANE
SCHEMBL5704565 0.77 PDE4B (0.49) PARP15PARP10PDE4BPDE4APDE4C

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 8 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
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 PARP15 4183/4885PARP10 4262/4885PDE4B 3051/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS PARP15 4677/4885PARP10 4606/4885PDE4B 3855/4885

“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.