SCHEMBL6744783

SCHEMBL6744783

[CH2]c1ccc(C#CC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HAO1 Q9UJM8 1/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
PTGES2 Q9H7Z7 5/20 0.33
ASIC3 Q9UHC3 1/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
DRD5 P21918 1/20 0.31
P2RY6 Q15077 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31

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
SCHEMBL4954449 0.87 HRH3 (0.47) HRH3HAO1MAPTKMT2AATM
SCHEMBL9694697 0.78 GRM5 (0.45) HRH3HAO1MAPTKMT2AATM
SCHEMBL507497 0.76 KIF11 (0.48) HRH3
SCHEMBL22881118 0.76 HRH3 (0.41) HRH3HAO1MAPTKMT2AATM
SCHEMBL20717544 0.76 APP (0.59) HRH3HAO1MAPTKMT2APTGES2
SCHEMBL24722261 0.76 HRH3 (0.41) HRH3HAO1MAPTKMT2AATM
SCHEMBL13597759 0.76 HRH3 (0.41) HRH3HAO1PTGES2DRD5P2RY6
SCHEMBL4379793 0.76 APP (0.48) HRH3HAO1MAPTKMT2A
SCHEMBL13597750 0.76 KCNH2 (0.44) HRH3HAO1MAPTKMT2APTGES2
SCHEMBL562815 0.75 APP (0.55) HRH3MAPTKMT2APTGES2CYP2D6

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 HRH3 3710/4885HAO1 1363/4885MAPT 4049/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS HRH3 1978/4885HAO1 2052/4885MAPT 4344/4885

“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.