SCHEMBL1885876

SCHEMBL1885876

C=CCC(C(=O)OCC)(C(=O)OCC)C(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 4/20 0.31
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30
LMNA P02545 2/20 0.30
HSD17B10 Q99714 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11678264 0.87 MMP8 (0.34) MMP8MEN1KMT2APKMKDM4E
SCHEMBL8847820 0.86 MMP8 (0.38) MMP8MEN1KMT2APKMKDM4E
SCHEMBL27995201 0.80 MMP8 (0.41) MMP8MEN1KMT2APKMKDM4E
SCHEMBL8705908 0.79 MEN1 (0.36) MMP8MEN1KMT2APKMMAPT
SCHEMBL9187578 0.77 LMNA (0.31) CYP4F2CYP4A11MAPK1LMNA
SCHEMBL25979049 0.77 MEN1 (0.44) MMP8MEN1KMT2APKMKDM4E
SCHEMBL10976716 0.76 MEN1 (0.33) MMP8MEN1KMT2APKMMAPK1
SCHEMBL10974064 0.76 ALOX15 (0.34) MMP8MEN1KMT2APKMMAPK1
SCHEMBL28254625 0.75 MMP8 (0.38) MMP8MEN1KMT2APKMKDM4E
SCHEMBL3519692 0.74 MEN1 (0.43) MEN1KMT2APKMKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2657219-A1 Intermediate for producing bicyclic y-amino acid derivative Daiichi Sankyo Company, Limited (JP) 2013-10-30 EP disclosed
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 EP 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 MMP8 4735/4885MEN1 2786/4885KMT2A 932/4885

“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.