SCHEMBL2587027

SCHEMBL2587027

COc1cccc(OC)c1OCC1CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.47
RIPK1 Q13546 1/20 0.47
MAPK1 P28482 1/20 0.46
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
CYP2D6 P10635 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
GRM2 Q14416 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL10209543 0.88 SMN1; SMN2 (0.44) SMN1; SMN2POLBRIPK1MAPK1HCRTR1
SCHEMBL16011771 0.88 SMN1; SMN2 (0.44) SMN1; SMN2POLBRIPK1HCRTR1HCRTR2
SCHEMBL636252 0.84 SRC (0.51) SMN1; SMN2RIPK1HCRTR1HCRTR2ALDH1A1
SCHEMBL28324572 0.82 CHRNB4 (0.58) SMN1; SMN2POLBRIPK1ALDH1A1L3MBTL1
SCHEMBL29993440 0.82 CHRNB4 (0.58) SMN1; SMN2POLBRIPK1ALDH1A1L3MBTL1
SCHEMBL16011779 0.82 MCHR1 (0.48) SMN1; SMN2POLBHCRTR1HCRTR2ALDH1A1
SCHEMBL635621 0.80 SRC (0.50) SMN1; SMN2HCRTR1HCRTR2ALDH1A1MAPT
SCHEMBL11593414 0.78 ALDH1A1 (0.59) SMN1; SMN2POLBMAPK1CYP2D6ALDH1A1
SCHEMBL2433729 0.78 NFE2L2 (0.54) CYP2D6CYP1A2KMT2AL3MBTL1
SCHEMBL2433728 0.78 NFE2L2 (0.54) CYP2D6CYP1A2KMT2AL3MBTL1

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 SMN1; SMN2 4003/4885POLB 1633/4885RIPK1 3515/4885

“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.