SCHEMBL14737610

SCHEMBL14737610

COCCOCC(=O)OCCOc1c(-c2ccc3c(c2)CNC3=O)ccc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
GSK3B P49841 2/20 0.37
CHEK1 O14757 1/20 0.36
KDR P35968 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
TDP2 O95551 2/20 0.34
PRKCI P41743 1/20 0.34
PRF1 P14222 1/20 0.34
RARG P13631 2/20 0.34
BRAF P15056 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
TNFRSF1A P19438 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
SCHEMBL2581828 0.88 GSK3B (0.39) POLQGSK3BKDRMAPKAPK2DAPK3
SCHEMBL2593176 0.86 PRKCI (0.38) POLQGSK3BMAPKAPK2DAPK3NTRK1
SCHEMBL2589038 0.86 POLQ (0.36) POLQGSK3BCHEK1KDRMAPKAPK2
SCHEMBL2583854 0.86 POLQ (0.40) POLQGSK3BCHEK1KDRMAPKAPK2
SCHEMBL2594272 0.85 POLQ (0.36) POLQGSK3BCHEK1KDRMAPKAPK2
SCHEMBL14736569 0.85 POLQ (0.37) POLQGSK3BMAPKAPK2DAPK3NTRK1
SCHEMBL14734723 0.85 HSD17B1 (0.40) CHEK1RARG
SCHEMBL14736742 0.85 POLQ (0.37) POLQGSK3BKDRMAPKAPK2DAPK3
SCHEMBL2591177 0.85 POLQ (0.38) POLQGSK3BMAPKAPK2DAPK3NTRK1
SCHEMBL14736858 0.85 GSK3B (0.38) POLQGSK3BMAPKAPK2DAPK3NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563770-B1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-03-23 EP disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A POLQ 1717/4885GSK3B 350/4885CHEK1 3278/4885

“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.