SCHEMBL2594500

SCHEMBL2594500

CCCCCC(=O)OCCOc1c(-c2cccc3c2CNC3=O)ccc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.38
TSHR P16473 1/20 0.36
DGKA P23743 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
POLM Q9NP87 1/20 0.35
POLK Q9UBT6 1/20 0.35
POLL Q9UGP5 1/20 0.35
POLH Q9Y253 1/20 0.35
KDR P35968 3/20 0.35
FFAR4 Q5NUL3 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CNR1 P21554 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL2589647 0.97 CNR2 (0.37) CNR2TSHRPDE4APDE4BPDE4C
SCHEMBL2583892 0.94 TSHR (0.38) CNR2TSHRKDRFFAR4HDAC4
SCHEMBL2592256 0.90 HDAC4 (0.37) TSHRKDRHDAC4HDAC2HDAC8
SCHEMBL2591319 0.87 TSHR (0.36) TSHRKDRFFAR4HDAC4HDAC2
SCHEMBL2593120 0.87 ALDH1A1 (0.39) CNR2TSHRKDRHDAC4HDAC2
SCHEMBL2588166 0.86 HDAC4 (0.39) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL2593014 0.85 KDR (0.36) TSHRKDRHDAC4HDAC2HDAC8
SCHEMBL2592436 0.85 KDR (0.36) TSHRKDRHDAC4HDAC2HDAC8
SCHEMBL2594468 0.85 ALDH1A1 (0.46) CNR2TSHRDGKAPOLMPOLK
SCHEMBL2592543 0.85 CNR2 (0.36) CNR2POLMPOLKPOLLPOLH

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
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
EP-2563770-A1 BIARYL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2013-03-06 EP disclosed
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A CNR2 2470/4885TSHR 2208/4885DGKA 1043/4885

“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.