SCHEMBL4176704

SCHEMBL4176704

CCOC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 2/20 0.76
ALDH1A1 P00352 1/20 0.76
HPGD P15428 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
GABRA1 P14867 2/20 0.62
GABRB2 P47870 2/20 0.62
GABRB1 P18505 1/20 0.62
GABRA3 P34903 1/20 0.62
MAOB P27338 1/20 0.54
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL2811774 0.92 ALDH1A1 (0.66) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4906659 0.91 GABRA1 (0.71) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4030619 0.85 TRPM8 (0.63) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL5161582 0.84 GABRA1 (0.64) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL4486238 0.83 ALDH1A1 (0.64) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL5159020 0.83 GABRA1 (0.62) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL2977304 0.83 GABRA1 (0.62) ALDH1A1HPGDGABRA1GABRB2GABRB1
SCHEMBL11403307 0.82 GABRA1 (0.56) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1
SCHEMBL16714028 0.81 MDH2 (0.85) MDH2ALDH1A1HPGDSMN1; SMN2
SCHEMBL11142732 0.81 GABRA1 (0.69) MDH2ALDH1A1HPGDSMN1; SMN2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections GLAXOSMITHKLINE ISTRAZIVACKI CENTER ZAGREB D.O.O. (HR) 2008-10-09 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
CN-1980945-A Carbamate linked macrolides useful for the treatment of microbial infections GLAXOSMITHKLINE ZAGREB (HR) 2007-06-13 CN disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
EP-1625137-A1 MACROLIDES SUBSTITUTED AT THE 4''-POSITION GLAXO GROUP LIMITED (GB) 2006-02-15 EP disclosed
WO-2004101585-A1 MACROLIDES SUBSTITUDED AT THE 4'-POSITION GLAXO GROUP LIMITED (GB) 2004-11-25 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 (3 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-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A MDH2 2286/4885ALDH1A1 2288/4885HPGD 2689/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 MDH2 1469/4885ALDH1A1 4011/4885HPGD 2617/4885
US-20080249033-A1 Carbamate Linked Macrolides Useful For The Treatment Of Microbial Infections CYP51A1, CUTA, MALT1 MDH2 3152/4885ALDH1A1 3491/4885HPGD 3347/4885

“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.