SCHEMBL4486188

SCHEMBL4486188

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
BCL2 P10415 1/20 0.49
MCL1 Q07820 1/20 0.49
PTGS1 P23219 4/20 0.48
PTGS2 P35354 4/20 0.48
MAPT P10636 3/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CXCL8 P10145 1/20 0.47

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
SCHEMBL3355855 0.91 PTGS2 (0.57) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL4144845 0.91 PTGS2 (0.57) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL1122739 0.85 BCL2 (0.64) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL7038218 0.84 MAPT (0.50) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL21055951 0.83 ALDH1A1 (0.50) AKR1C3PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL13387766 0.81 AKR1C3 (0.53) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL8522917 0.81 PTGS1 (0.55) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL4470758 0.80 AKR1C3 (0.44) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL2998970 0.80 PTGS1 (0.47) AKR1C3BCL2MCL1PTGS1PTGS2
SCHEMBL13668901 0.79 PTGS1 (0.53) AKR1C3BCL2MCL1PTGS1PTGS2

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
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP claimed
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
US-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US 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 (2 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-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases NR1H4, MMP8, NR1I2 AKR1C3 119/4885BCL2 875/4885MCL1 1225/4885
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.