SCHEMBL2581701

SCHEMBL2581701

COc1ccc(Br)c(OC)c1OCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.47
PDE4B Q07343 4/20 0.37
TUBB1 Q9H4B7 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2B P41595 2/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD4 P21917 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL2589218 0.88 PDE4D (0.41) PDE4DPDE4BTDP1HTR1AHTR2A
SCHEMBL10209543 0.84 SMN1; SMN2 (0.44) PDE4DPDE4BHTR2BHTR2AHTR7
SCHEMBL24724664 0.81 ALOX5AP (0.40) PDE4DPDE4BTDP1HTR1AHTR2B
SCHEMBL30099967 0.81 ALOX5AP (0.40) PDE4DPDE4BTDP1HTR1AHTR2B
SCHEMBL2587027 0.78 SMN1; SMN2 (0.57) PDE4DPDE4BMEN1CYP2D6KMT2A
SCHEMBL772484 0.76 CA2 (0.50) TUBB1CA2CA4
SCHEMBL30171329 0.76 CA2 (0.50) TUBB1CA2CA4
SCHEMBL16979124 0.76 RIPK1 (0.36) PDE4DPDE4BTDP1HTR1AHTR2B
SCHEMBL28968102 0.75 PDE4D (0.38) PDE4DPDE4BTDP1
SCHEMBL3393889 0.75 PDE4D (0.38) PDE4DPDE4BTDP1HTR1AHTR2B

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 PDE4D 10/4885PDE4B 5/4885TUBB1 2787/4885

“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.