SCHEMBL2698550

SCHEMBL2698550

C=C/C=C/C=C/C=C/C=C/C=C/CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
PAM P19021 1/20 0.35
LMNA P02545 1/20 0.30

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
SCHEMBL27912109 1.00 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAMLMNA
SCHEMBL17540714 1.00 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAMLMNA
SCHEMBL2698556 1.00 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAMLMNA
SCHEMBL17540715 1.00 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAMLMNA
SCHEMBL17950790 1.00 ALDH1A1 (0.52) ALDH1A1CYP2D6ALOX15PAMLMNA
SCHEMBL633425 0.90
SCHEMBL5176784 0.90
SCHEMBL4212865 0.84 ALDH1A1 (0.38) ALDH1A1CYP2D6ALOX15
SCHEMBL4970454 0.84 CYP2D6 (0.73) ALDH1A1CYP2D6ALOX15PAMLMNA
SCHEMBL4078133 0.84 CYP2D6 (0.73) ALDH1A1CYP2D6ALOX15PAMLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605654-B1 EPIPYRONE A AS AN ANTI-MICROBIAL AGENT BIOTELLIGA HOLDINGS LTD (NZ) 2023-09-27 EP disclosed
US-20160021881-A1 ANTI-MICROBIAL COMPOSITIONS BIOTELLIGA HOLDINGS LTD (NZ) 2016-01-28 US disclosed
US-20140357580-A1 ANTI-MICROBIAL COMPOSITIONS BIOTELLIGA HOLDINGS LTD (NZ) 2014-12-04 US disclosed
US-8889636-B2 Anti-microbial compositions BIOTELLIGA HOLDINGS LIMITED (NZ) 2014-11-18 US disclosed
US-20120108526-A1 ANTI-MICROBIAL COMPOSITIONS BIOTELLIGA HOLDINGS LIMITED (NZ) 2012-05-03 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 (3 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-20120108526-A1 ANTI-MICROBIAL COMPOSITIONS SYMPK, GALE, GNE ALDH1A1 3358/4885CYP2D6 1165/4885ALOX15 901/4885
US-20140357580-A1 ANTI-MICROBIAL COMPOSITIONS SYMPK, PGLS, GALE ALDH1A1 3103/4885CYP2D6 506/4885ALOX15 1007/4885
US-20160021881-A1 ANTI-MICROBIAL COMPOSITIONS SYMPK, PGLS, GALE ALDH1A1 3103/4885CYP2D6 506/4885ALOX15 1007/4885

“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.