SCHEMBL6489269

SCHEMBL6489269

CC(C)C(=O)Oc1c[c]cc(OC(=O)C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.50
▸ ALOX15 P16050 1/20 0.39
▸ CA2 P00918 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ FGFR1 P11362 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL1451651 0.80 LMNA (0.46) ELANEKMT2AMEN1KDM4ELMNA
SCHEMBL16955344 0.77 LMNA (0.41) CA2KMT2AMEN1KDM4ELMNA
SCHEMBL9817182 0.77 ELANE (0.49) ELANEALOX15CA2HTR1DHTR1B
SCHEMBL6201296 0.75 ELANE (0.60) ELANEALOX15CA2HTR1DHTR1B
SCHEMBL21795326 0.75 ELANE (0.79) ELANEALOX15CA2HTR1DHTR1B
SCHEMBL16950659 0.73 BACE1 (0.43) KMT2AMEN1KDM4ELMNATTR
SCHEMBL809187 0.73 ELANE (0.53) ELANEALOX15CA2KMT2AMEN1
SCHEMBL16954751 0.73 LMNA (0.37) ELANEKMT2AADRA2AADRA1AMEN1
SCHEMBL15463419 0.72 ELANE (0.52) ELANEALOX15CA2HTR1DHTR1B
SCHEMBL809353 0.72 ELANE (0.52) ELANEALOX15CA2HTR1DHTR1B

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
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 — — US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 — — US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 — — EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 — — WO disclosed
US-5599966-A SUITABLE FOR TREATMENT OF DISEASES OF RESPIRATORY PASSAGES BYK NEDERLAND BV (NL) 1997-02-04 — — US disclosed
WO-1994008945-A1 SUBSTITUTED ETHANOLAMINE ESTERS BYK NEDERLAND BV (NL) 1994-04-28 — — 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-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D ELANE 1653/4885ALOX15 3901/4885CA2 1325/4885

“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.

Send feedback