SCHEMBL2589281

SCHEMBL2589281

CCOc1c(OC)ccc(-c2ccc3c(c2)CCC3=O)c1OCC(=O)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.45
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 6/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
ACHE P22303 1/20 0.35
PTPRC P08575 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35

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
SCHEMBL2590893 0.98 HSD17B1 (0.45) HSD17B1MAPTHTTPDE4DALDH1A1
SCHEMBL2592841 0.94 MAPT (0.45) HSD17B1MAPTHTTPDE4DALDH1A1
SCHEMBL2581628 0.92 HSD17B1 (0.44) HSD17B1MAPTHTTPDE4DALDH1A1
SCHEMBL2584558 0.88 HSD17B1 (0.47) HSD17B1MAPTPDE4DALDH1A1TSHR
SCHEMBL2589604 0.87 HSD17B1 (0.47) HSD17B1MAPTPDE4DALDH1A1KDM4E
SCHEMBL14737996 0.86 MAPT (0.40) MAPTHTTPDE4DALDH1A1GLA
SCHEMBL2586074 0.86 PDE4D (0.49) MAPTHTTPDE4D
SCHEMBL2591419 0.86 HSD17B1 (0.43) HSD17B1PDE4DALDH1A1KDM4EMEN1
SCHEMBL2584505 0.86 HSD17B1 (0.42) HSD17B1PDE4DALDH1A1KDM4EHPGD
SCHEMBL2591193 0.85 HSD17B1 (0.44) HSD17B1MAPTPDE4DALDH1A1TSHR

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 HSD17B1 122/4885MAPT 4737/4885HTT 4826/4885

“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.