SCHEMBL2592565

SCHEMBL2592565

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.43
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4D Q08499 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 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
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 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
SCHEMBL2591609 0.94 HSD17B1 (0.42) HSD17B1TSHRTDP1L3MBTL1PDE4D
SCHEMBL2589604 0.91 HSD17B1 (0.47) HSD17B1L3MBTL1PDE4DALDH1A1KDM4E
SCHEMBL2590148 0.89 HSD17B1 (0.44) HSD17B1TSHRL3MBTL1PDE4DALDH1A1
SCHEMBL2591193 0.89 HSD17B1 (0.44) HSD17B1TSHRPDE4DALDH1A1KDM4E
SCHEMBL2584558 0.88 HSD17B1 (0.47) HSD17B1TSHRPDE4DALDH1A1KDM4E
SCHEMBL2592145 0.87 HSD17B1 (0.47) HSD17B1L3MBTL1PDE4DALDH1A1KDM4E
SCHEMBL2591136 0.87 BRD4 (0.43) HSD17B1TDP1L3MBTL1PDE4DALDH1A1
SCHEMBL2591635 0.87 HSD17B1 (0.43) HSD17B1PDE4DALDH1A1KDM4EHPGD
SCHEMBL2590601 0.86 PDE4D (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL2588921 0.86 POLQ (0.36) TSHRTDP1L3MBTL1PDE4DSMN1; SMN2

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 122/4885TSHR 2208/4885TDP1 49/4885

“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.