SCHEMBL5989538

SCHEMBL5989538

O=C(Cl)OCOC(=O)CCC(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
NOTUM Q6P988 1/20 0.48
LMNA P02545 3/20 0.48
HCAR2 Q8TDS4 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CDC25B P30305 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL1177836 0.87 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL18309237 0.86 ALDH1A1 (0.70) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL1719399 0.86 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL8492777 0.84 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL18686247 0.83 ALDH1A1 (0.66) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
Benzene SCHEMBL28101078 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL960 0.83 ALDH1A1 (1.00) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL20351186 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL24384287 0.82 ALDH1A1 (0.75) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
SCHEMBL3730231 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058380-A1 Novel aminobenzophenone compounds OTTOSEN ERIK R 2006-03-16 US disclosed
EP-1583735-A2 NOVEL AMINOBENZOPHENONE COMPOUNDS Leo Pharma A/S (DK) 2005-10-12 EP disclosed
US-20050148648-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
US-6897236-B1 Aminobenzophenones as inhibitors of IL-1β and TNF-α LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) 2005-05-24 US disclosed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
WO-2004056762-A2 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA A/S (DK) 2004-07-08 WO disclosed
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-12 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-20050148648-A1 Modulators of ATP-binding cassette transporters ABCB11, ABCB1, ABCC5 ALDH1A1 895/4885MAPK1 3616/4885L3MBTL1 4414/4885
US-20040030137-A1 Novel heterocyclic amide derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, DRD1 ALDH1A1 1630/4885MAPK1 3993/4885L3MBTL1 3013/4885
US-20060058380-A1 Novel aminobenzophenone compounds NFKBIA, IL4I1, ALDH7A1 ALDH1A1 168/4885MAPK1 994/4885L3MBTL1 4618/4885

“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.