SCHEMBL2589736

SCHEMBL2589736

COCC1(COc2c(Br)ccc(OC)c2OC)COC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.33
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
SYK P43405 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
LARS1 Q9P2J5 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
SLC6A4 P31645 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2592942 0.87 ALOX5AP (0.31)
SCHEMBL2588451 0.76 ALOX5AP (0.30)
SCHEMBL7710291 0.75 BRD4 (0.35) TUBB1MAPTMAPK1LMNAHPGD
SCHEMBL14736781 0.74 TUBB1 (0.40) TUBB1MAPTMAPK1LMNAHPGD
SCHEMBL2584147 0.73 CNR2 (0.34)
SCHEMBL2591521 0.72 MEN1 (0.35) TUBB1MAPTLMNAHPGDALDH1A1
SCHEMBL2592881 0.72 ALDH1A1 (0.50) TUBB1MAPTHPGDALDH1A1GAA
SCHEMBL772484 0.71 CA2 (0.50) TUBB1MAPTHTTALDH1A1KDM4E
SCHEMBL30171329 0.71 CA2 (0.50) TUBB1MAPTHTTALDH1A1KDM4E
SCHEMBL2584274 0.71 PRF1 (0.42) LMNAKDM4E

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 5 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-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 TUBB1 2787/4885MAPT 4737/4885MAPK1 2656/4885

“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.