SCHEMBL4480703

SCHEMBL4480703

CC(C)Cc1ccc(C(C)CC2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 2/20 0.40
AKR1C3 P42330 2/20 0.40
CXCR1 P25024 2/20 0.40
CXCR2 P25025 2/20 0.40
ESR1 P03372 2/20 0.40
ALOX5 P09917 2/20 0.40
ALB P02768 1/20 0.40
RARB P10826 1/20 0.40
ADRB3 P13945 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR2A P28223 1/20 0.40
NR1I3 Q14994 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
CXCL8 P10145 1/20 0.40
TSHR P16473 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
SCHEMBL12241767 0.78 GLA (0.44) GLANPSR1LMNA
SCHEMBL17171323 0.74 GLA (0.41) GLANPSR1LMNAHTR2ATSHR
SCHEMBL5834741 0.74 GLA (0.42) GLANPSR1
SCHEMBL12241781 0.70 GLA (0.40) GLANPSR1LMNATSHR
SCHEMBL23552011 0.70 EPHX1 (0.46) GLANPSR1PTGS1EPHX1
SCHEMBL15181778 0.69 DAO (0.43) HTR2AEPHX1
SCHEMBL5025189 0.68 PTGS1 (0.49) NPSR1PTGS1PTGS2LMNACYP2C9
SCHEMBL24380856 0.67 MME (0.38) GLANPSR1
SCHEMBL19857350 0.66 GLA (0.41) GLANPSR1
SCHEMBL23459310 0.65 LMNA (0.42) GLANPSR1PTGS2LMNA

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 6 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-20060247297-A1 Chiral arylketones in the treatment of neutrophil-dependent inflammatory diseases DOMPE PHA.R.MA S.P.A. (IT) 2006-11-02 US 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

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 GLA 3988/4885NPSR1 1815/4885PTGS1 664/4885
US-20090203652-A1 CHIRAL ARYLKETONES IN THE TREATMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DISEASES NR1H4, MMP8, NR1I2 GLA 3988/4885NPSR1 1815/4885PTGS1 664/4885

“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.