SCHEMBL8065449

SCHEMBL8065449

COc1ccc(CC(=O)O)cc1-c1cccc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.63
PDE4B Q07343 2/20 0.56
GAA P10253 2/20 0.54
PTGDR2 Q9Y5Y4 5/20 0.52
CA5A P35218 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FBP1 P09467 1/20 0.48
SLC6A9 P48067 1/20 0.48
PPARD Q03181 1/20 0.48
CTSA P10619 4/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL28510358 0.89 FFAR1 (0.53) PDE4DPDE4BPTGDR2PPARD
SCHEMBL28506911 0.89 FFAR1 (0.57) PDE4DPDE4BPTGDR2PPARD
SCHEMBL28454360 0.86 GAA (0.62) GAAPTGDR2CA5AALDH1A1TSHR
SCHEMBL15906176 0.85 GAA (0.55) PDE4DGAAPTGDR2CA5AALDH1A1
SCHEMBL8055902 0.85 PDE4D (0.64) PDE4DPDE4BFBP1
SCHEMBL28509529 0.84 CFD (0.55) PDE4DPDE4B
SCHEMBL29406552 0.83 PDE4D (0.61) PDE4DPDE4BTSHRCTSA
SCHEMBL13578468 0.83 PDE4D (0.61) PDE4DPDE4BTSHRCTSA
SCHEMBL8067827 0.82 GAA (0.51) PDE4DPDE4BGAAPTGDR2CA5A
SCHEMBL28709947 0.82 PDE4B (0.62) PDE4DPDE4BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2014-10-09 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-8791267-B2 Biaryl PDE4 inhibitors for treating inflammatory, cardiovascular and CNS disorders DECODE GENETICS EHF (IS) 2014-07-29 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
US-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2012-07-19 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS DECODE GENETICS EHF (IS) 2009-12-31 US disclosed
WO-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 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 (3 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-20120183522-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885GAA 530/4885
US-20140301999-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885GAA 530/4885
US-20090324569-A1 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATORY, CARDIOVASCULAR AND CNS DISORDERS PDE4A, PDE4B, PDE3B PDE4D 7/4885PDE4B 2/4885GAA 530/4885

“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.