SCHEMBL4870627

SCHEMBL4870627

CCC1CCC(C(=O)OC)(C(=O)OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
CYP19A1 P11511 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
LMNA P02545 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
SCHEMBL4870636 0.91 MAPT (0.33) NPSR1GAAKDM4EALDH1A1HPGD
SCHEMBL14380147 0.82 FFAR3 (0.33) NPSR1GAAKDM4EALDH1A1HPGD
SCHEMBL1808841 0.81 POLB (0.33) NPSR1GAAKDM4EALDH1A1HPGD
SCHEMBL1808842 0.81 POLB (0.33) NPSR1GAAKDM4EALDH1A1HPGD
SCHEMBL1808250 0.81 POLB (0.33) NPSR1GAAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1811025 0.79 POLB (0.32) NPSR1GAAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1811028 0.79 POLB (0.32) NPSR1GAAKDM4EALDH1A1HPGD
SCHEMBL1811883 0.79 MAPT (0.37) NPSR1GAAKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL1811026 0.79 POLB (0.32) NPSR1GAAKDM4EALDH1A1HPGD
SCHEMBL4869772 0.79 POLB (0.32) NPSR1GAAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
US-20060160802-A1 Peptide deformylase inhibitors GLAXO GROUP LIMITED 2006-07-20 US disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 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 (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-20060160802-A1 Peptide deformylase inhibitors PDF, PEPD, DPEP1 NPSR1 3037/4885GAA 1043/4885KDM4E 2591/4885

“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.