SCHEMBL19862467

SCHEMBL19862467

O=C(CCCN(CCCC(=O)OCc1ccccc1)CCCC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
ALOX5 P09917 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.46
EPHX2 P34913 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
NOTUM Q6P988 1/20 0.45

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
SCHEMBL19862469 0.97 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL19862466 0.92 ALOX5 (0.51) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL19862468 0.92 ALOX5 (0.51) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL31187902 0.91 HTT (0.52) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL8886811 0.91 ALOX5 (0.52) ALDH1A1MAPK1L3MBTL1ALOX5SLC6A2
SCHEMBL24187637 0.89 LMNA (0.49) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL20510397 0.88 CA1 (0.55) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL25259191 0.88 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1ALOX5TDP1
SCHEMBL18673 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2
SCHEMBL3963428 0.87 ALDH1A1 (0.68) ALDH1A1MAPK1L3MBTL1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044280-A1 Y-TYPE DISCRETE POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREOF JENKEM TECHNOLOGY CO., LTD. (BEIJING) (CN) 2018-02-15 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 (1 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-20180044280-A1 Y-TYPE DISCRETE POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREOF IDUA, YWHAZ, DDOST ALDH1A1 3213/4885MAPK1 2055/4885L3MBTL1 3424/4885

“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.