SCHEMBL6748807

SCHEMBL6748807

[CH2]c1ccc(OC(C)C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
MITF O75030 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
RORC P51449 1/20 0.34
ADCY1 Q08828 1/20 0.33

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
SCHEMBL3850373 0.81 GRM2 (0.46) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL508168 0.77 GRM2 (0.52) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL3855799 0.77 GRM2 (0.52) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL1299966 0.77 ALDH1A3 (0.62) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL507936 0.76 KMT2A (0.64) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL18120333 0.76 KMT2A (0.48) GRM2SMN1; SMN2NPC1HPGDRAB9A
Hydrochloric Acid SCHEMBL507245 0.76 GRM2 (0.51) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL231429 0.75 ALDH1A3 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL507870 0.75 PARP10 (0.65) GRM2SMN1; SMN2NPC1HPGDRAB9A
SCHEMBL7956623 0.75 SLC6A2 (0.41) MEN1KMT2ACHRNB4CHRNA3SLC6A2

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 GRM2 3319/4885SMN1; SMN2 3997/4885NPC1 1583/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS GRM2 2294/4885SMN1; SMN2 4173/4885NPC1 1048/4885

“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.