SCHEMBL7720033

SCHEMBL7720033

CC(CC=O)N(Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
CTSB P07858 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL16553791 0.94 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL16564957 0.94 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL10557010 0.85 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL7715854 0.85 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL13687203 0.83 LMNA (0.44) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL16553706 0.83 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL16564973 0.83 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL10992195 0.82 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL3837920 0.81 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1POLBHSD17B10
Carbamic Acid SCHEMBL28540227 0.80 ALDH1A1 (0.43) ALDH1A1LMNAL3MBTL1CCR6PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020037534-A1 Combinatorial preparation of a substance library with removal of a zwitterionic compound by precipitation BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 US disclosed
EP-1188732-A2 Combinatorial synthesis of a chemical library involving the separation of a zwitterionic compound by precipitation BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP 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-20020037534-A1 Combinatorial preparation of a substance library with removal of a zwitterionic compound by precipitation NEFM, PSPH, NGLY1 ALDH1A1 3745/4885LMNA 2908/4885L3MBTL1 3617/4885

“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.