SCHEMBL939896

SCHEMBL939896

COC(=O)CC(C)(C)OC1CCOC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 12/20 0.34
PDE4A P27815 6/20 0.34
PDE4B Q07343 6/20 0.34
PDE4C Q08493 6/20 0.34
GRM5 P41594 2/20 0.31
EPHX2 P34913 1/20 0.30
ATF4 P18848 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
SCHEMBL12240837 0.74 ALDH1A1 (0.31) PDE4DPDE4APDE4BPDE4C
SCHEMBL13126846 0.70 PDE4D (0.34) PDE4D
SCHEMBL7803266 0.69 PDE4D (0.33) PDE4D
SCHEMBL22602147 0.69 PDE4D (0.33) PDE4D
SCHEMBL12708160 0.69 PDE4D (0.33) PDE4D
SCHEMBL13617237 0.69 PDE4D (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL6840506 0.69 PDE4D (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL938041 0.69 ATF4 (0.34) PDE4DPDE4APDE4BPDE4CATF4
SCHEMBL13563616 0.68 PDE4D (0.35) PDE4DPDE4APDE4BPDE4C
SCHEMBL15327797 0.68 CTSL (0.35) PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (2 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PDE4D 4338/4885PDE4A 3409/4885PDE4B 3607/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 PDE4D 4338/4885PDE4A 3409/4885PDE4B 3607/4885

“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.