SCHEMBL679588

SCHEMBL679588

CCOC(=O)c1c2c(nn1CCOC)C1CCC2C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.35
ALDH1A1 P00352 5/20 0.33
TSHR P16473 5/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.32
FDFT1 P37268 1/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL684869 0.85 CNR2 (0.34) HPGDALDH1A1KDM4E
SCHEMBL679341 0.82 KMT2A (0.37) HPGDALDH1A1TSHRHSD17B10KDM4E
SCHEMBL678995 0.79 HSD17B10 (0.34) HPGDALDH1A1TSHRHSD17B10KDM4E
SCHEMBL1431800 0.78 LMNA (0.46) ALDH1A1KDM4EMAPK1KMT2APOLB
SCHEMBL1432075 0.77 TSHR (0.41) ALDH1A1TSHRKDM4EMAPK1HTT
SCHEMBL680016 0.74 TSHR (0.40) HPGDALDH1A1TSHRHSD17B10KDM4E
SCHEMBL9113242 0.73 KDM4E (0.31) ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4752262 0.71 ALDH1A1 (0.36) HPGDALDH1A1TSHRHSD17B10KDM4E
SCHEMBL9113244 0.70 ALDH1A1 (0.41) HPGDALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4934284 0.68 KDM4E (0.46) ALDH1A1KDM4EMAPK1KMT2AMAPT

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 HPGD 670/4885ALDH1A1 668/4885TSHR 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.