SCHEMBL678995

SCHEMBL678995

CCOC(=O)c1nn(CCOC)c2c1C1CCC2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
PDE4D Q08499 4/20 0.33
ELANE P08246 2/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL685627 0.85 CNR1 (0.34) ALDH1A1HPGDKDM4ECNR1CNR2
SCHEMBL14487732 0.83 PDE4A (0.35) HSD17B10TSHRPDE4APDE4BPDE4C
SCHEMBL679182 0.82 CCNA2 (0.37) HSD17B10GAATSHRELANEALDH1A1
SCHEMBL679588 0.79 HPGD (0.35) HSD17B10GAATSHRALDH1A1HPGD
SCHEMBL1432845 0.78 NPC1 (0.46) PDE4APDE4BPDE4CPDE4DELANE
SCHEMBL14487962 0.78 MEN1 (0.34) HSD17B10GAAELANEALDH1A1KDM4E
SCHEMBL18854120 0.77 NPSR1 (0.33) HSD17B10TSHRELANEALDH1A1HPGD
SCHEMBL15723630 0.77 ADORA3 (0.36) HSD17B10GAATSHRPDE4BELANE
SCHEMBL1432561 0.77 NPC1 (0.42) PDE4APDE4BPDE4CPDE4DELANE
SCHEMBL679150 0.74 CCNA2 (0.39) HSD17B10GAATSHRELANEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 US disclosed
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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 (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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 HSD17B10 975/4885GAA 116/4885TSHR 3794/4885

“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.