SCHEMBL352044

SCHEMBL352044

CC(=O)CC(CO)CCCO

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 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
SCHEMBL2712289 0.86 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL5014524 0.86 ALDH1A1 (0.42) ALDH1A1TDP1LMNA
SCHEMBL1278377 0.83 LMNA (0.61) ALDH1A1LMNA
Butanone SCHEMBL11239084 0.82 ALDH1A1 (0.46) ALDH1A1TDP1LMNA
SCHEMBL28133454 0.81 ALDH1A1 (0.41) ALDH1A1LMNA
Acetic Acid SCHEMBL3683183 0.81 ALDH1A1 (0.41) ALDH1A1TDP1LMNA
Acetic Acid SCHEMBL540581 0.81 ALDH1A1 (0.41) ALDH1A1TDP1LMNA
SCHEMBL184422 0.81 LMNA (0.65) ALDH1A1LMNA
SCHEMBL10808756 0.81 LMNA (0.65) ALDH1A1LMNA
Water SCHEMBL15662931 0.81 TDP1 (0.34) ALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8435571-B2 Extracts and compounds from “Agapanthus africanus” and their use as biological plant protecting agents Afrarforum AG (DE) 2013-05-07 US disclosed
US-20120015062-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS AGRARFORUM SA (PTY) LTD. (ZA) 2012-01-19 US disclosed
US-20090258097-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS AGRARFORUM AG (DE) 2009-10-15 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-20090258097-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS GGT1, AGPS, NPEPPS ALDH1A1 2004/4885TDP1 3458/4885LMNA 3540/4885
US-20120015062-A1 EXTRACTS AND COMPOUNDS FROM \"AGAPANTHUS AFRICANUS\" AND THEIR USE AS BIOLOGICAL PLANT PROTECTING AGENTS GGT1, AGPS, NPEPPS ALDH1A1 2004/4885TDP1 3458/4885LMNA 3540/4885

“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.