SCHEMBL20147822

SCHEMBL20147822

CCC(C)N(C(=O)OCc1ccccc1)C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 4/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
LMNA P02545 2/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL15314815 0.87 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL20147823 0.83 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL16467969 0.80 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL10739372 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL20147821 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL11883329 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL11747219 0.77 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL4688822 0.76 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL939536 0.76 ALDH1A1 (0.64) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2
SCHEMBL14808529 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1TDP1SLC6A2

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-20180133244-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL VIFOR (INTERNATIONAL) LTD. (CH) 2018-05-17 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-20180133244-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY REMOVING POTASSIUM ION FROM THE GASTROINTESTINAL TRACT OF A MAMMAL KCNN3, KCNH3, KCNH2 ALDH1A1 4369/4885L3MBTL1 2835/4885MAPK1 3981/4885

“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.