SCHEMBL6747625

SCHEMBL6747625

[CH2]CCCCCCCCC#Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
APP P05067 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MMP2 P08253 1/20 0.39
MMP12 P39900 1/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2707756 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9770152 1.00 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL2711785 0.92 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL9770050 0.87 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL5541163 0.83 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL17911731 0.83 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
Ammonia Solution, Strong SCHEMBL23014858 0.81 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL4071200 0.80 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL4073903 0.80 FFAR1 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19THPO
SCHEMBL23014997 0.80 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C9CYP2C19THPO

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 CYP1A2 3153/4885CYP3A4 1761/4885CYP2C9 2164/4885
US-20020042365-A1 Vancomycin analogs VNN1, PTMS, ASNS CYP1A2 3499/4885CYP3A4 706/4885CYP2C9 851/4885

“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.