SCHEMBL4470758

SCHEMBL4470758

CC(C(=O)CC(=O)O)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
BCL2 P10415 1/20 0.44
MCL1 Q07820 1/20 0.44
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 5/20 0.40
PTGS2 P35354 5/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL4480253 0.83 L3MBTL1 (0.45) BCL2MCL1KMT2AALDH1A1RAB9A
SCHEMBL3355855 0.82 PTGS2 (0.57) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL4144845 0.82 PTGS2 (0.57) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL4486188 0.80 AKR1C3 (0.50) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL1122739 0.79 BCL2 (0.64) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL7038218 0.79 MAPT (0.50) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL31314409 0.78 AKR1C3 (0.47) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL28272268 0.77 TSHR (0.48) KMT2AALDH1A1GABRA1PTGS1PTGS2
SCHEMBL13387766 0.76 AKR1C3 (0.53) AKR1C3BCL2MCL1MAPTGAA
SCHEMBL11218987 0.76 TSHR (0.52) AKR1C3BCL2MCL1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328057-B2 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE' FARMACEUTICI S.P.A. (IT) 2016-05-03 US disclosed
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES DOMPE PHA.R.MA S.P.A. (IT) 2009-08-13 US disclosed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP disclosed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP disclosed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 WO 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-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 AKR1C3 119/4885BCL2 875/4885MCL1 1225/4885

“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.