SCHEMBL2590544

SCHEMBL2590544

COc1ccc(Br)c(OCC(C)C)c1OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.38
TUBB1 Q9H4B7 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 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
SCHEMBL2589057 0.86 ALDH1A1 (0.33) TUBB1ALDH1A1GAAMAPTPDE4B
SCHEMBL14749537 0.81 KCNH2 (0.44) AOC3ALDH1A1GAALMNAMAPT
SCHEMBL772484 0.79 CA2 (0.50) TUBB1ALDH1A1MAPT
SCHEMBL30171329 0.79 CA2 (0.50) TUBB1ALDH1A1MAPT
SCHEMBL14736781 0.79 TUBB1 (0.40) AOC3TUBB1ALDH1A1GAALMNA
SCHEMBL2592551 0.77 TUBB4A (0.41) AOC3TUBB1ALDH1A1GAASMN1; SMN2
SCHEMBL7708402 0.76 TUBB1 (0.50) TUBB1ALDH1A1GAALMNAMAPT
SCHEMBL7155620 0.75 ALDH1A1 (0.43) ALDH1A1GAALMNAMAPTSMN1; SMN2
SCHEMBL7708392 0.73 MCHR1 (0.39) AOC3TUBB1ALDH1A1GAALMNA
SCHEMBL16784832 0.73 ALOX15 (0.58) ALDH1A1GAAMAPTHPGDMAPK1

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 AOC3 1059/4885TUBB1 2787/4885ALDH1A1 824/4885

“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.