SCHEMBL2486516

SCHEMBL2486516

CC(C)CC(C)(C)C.CCC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
MMP8 P22894 1/20 0.37
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.31
FFAR3 O14843 1/20 0.30

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
Bicarbonate SCHEMBL5085250 0.81 MMP8 (0.36) TDP1MMP8CYP2C19ALDH1A1
Acetone SCHEMBL9097300 0.81 ALDH1A1 (0.41) TDP1MMP8CYP2C19ALDH1A1
Butanone SCHEMBL10818296 0.81 ALDH1A1 (0.46) TDP1MMP8CYP2C19ALDH1A1FFAR3
Acetic Acid SCHEMBL28048717 0.79 ALDH1A1 (0.39) TDP1MMP8CYP2C19ALDH1A1FFAR3
Alcohol SCHEMBL8816286 0.78 TSHR (0.39) TDP1MMP8ALDH1A1
Methyl Alcohol SCHEMBL375169 0.78 TSHR (0.35) MMP8
Hydrogen Peroxide SCHEMBL28073128 0.78 TSHR (0.35) MMP8
SCHEMBL2713018 0.78
SCHEMBL23992 0.78
SCHEMBL30487170 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380898-B1 Process to make glucocorticoid compounds GLAXO GROUP LTD (GB) 2013-08-28 EP disclosed
EP-1644398-B1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LTD (GB) 2013-01-09 EP disclosed
EP-2380898-A1 Process to make glucocortisoid compounds GLAXO GROUP LIMITED (GB) 2011-10-26 EP disclosed
EP-1644397-B1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LTD (GB) 2010-05-12 EP disclosed
US-7638508-B2 Glucocorticosteroid compound having anti-inflammatory activity GLAXO GROUP LIMITED (GB) 2009-12-29 US disclosed
US-7524970-B2 Compounds GLAXO GROUP LIMITED (GB) 2009-04-28 US disclosed
US-20080070880-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI-INFLAMMATORY ACTIVITY BIGGADIKE KEITH 2008-03-20 US disclosed
US-20080015360-A1 Novel compounds JOHN MATTHEW P 2008-01-17 US disclosed
US-7291609-B2 Specific glucocorticosteroid compound having anti-inflammatory activity GLAXO GROUP LIMITED (GB) 2007-11-06 US disclosed
US-7288536-B2 Specific glucocorticosteroid compound having anti-inflammatory activity GLAXO GROUP LIMITED (GB) 2007-10-30 US disclosed
US-20070043007-A1 Specific glucocorticosteroid compounds having anti-inflammatory activity GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20060247219-A1 Specific glucocorticosteriod compound having anti-inflamatory activity GLAXO GROUP LIMITED (GB) 2006-11-02 US disclosed
EP-1644397-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-04-12 EP disclosed
EP-1644398-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2006-04-12 EP disclosed
WO-2005005452-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed
WO-2005005451-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI- INFLAMMATORY ACTIVITY GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed
EP-1472271-A1 PROCESS FOR THE PRODUCTION OF 6.ALPHA.,9.ALPHA-DIFLUORO-17.ALPHA.-(1-OXOPROPOXY)-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-ANDROST-1,4-DIENE-17.BETA.-CARBOTHIOIC ACID GLAXO GROUP LIMITED (GB) 2004-11-03 EP disclosed
WO-2003066654-A1 PROCESS FOR THE PRODUCTION OF 6.ALPHA.,9.ALPHA-DIFLUORO-17.ALPHA.-(1-OXOPROPOXY-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-ANDROST-1,4-DIENE-17.BETA.-CARBOTHIOIC ACID GLAXO GROUP LIMITED (GB) 2003-08-14 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 (4 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-20080070880-A1 SPECIFIC GLUCOCORTICOSTEROID COMPOUND HAVING ANTI-INFLAMMATORY ACTIVITY NR3C1, NR3C2, MC2R TDP1 4761/4885MMP8 124/4885CYP2C19 422/4885
US-20060247219-A1 Specific glucocorticosteriod compound having anti-inflamatory activity NR3C1, NR3C2, MC2R TDP1 3988/4885MMP8 108/4885CYP2C19 2198/4885
US-20070043007-A1 Specific glucocorticosteroid compounds having anti-inflammatory activity NR3C2, NR3C1, NR5A1 TDP1 4260/4885MMP8 105/4885CYP2C19 179/4885
US-20080015360-A1 Novel compounds CYP8B1, PRMT8, CBR3 TDP1 4470/4885MMP8 339/4885CYP2C19 1051/4885

“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.