SCHEMBL2590148

SCHEMBL2590148

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.44
PDE4D Q08499 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
MAPT P10636 3/20 0.37
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 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
SCHEMBL2591992 0.94 HSD17B1 (0.43) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2591635 0.92 HSD17B1 (0.43) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2584558 0.90 HSD17B1 (0.47) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2589604 0.89 HSD17B1 (0.47) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2592565 0.89 HSD17B1 (0.43) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2584134 0.87 HSD17B1 (0.43) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2591193 0.86 HSD17B1 (0.44) HSD17B1PDE4DKDM4EALDH1A1HPGD
SCHEMBL2583786 0.86 POLQ (0.37) KDM4EALDH1A1HPGDMAPTESR1
SCHEMBL2589607 0.86 PDE4D (0.47) PDE4DCYP3A4
SCHEMBL2592145 0.85 HSD17B1 (0.47) HSD17B1PDE4DKDM4EALDH1A1HPGD

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 122/4885PDE4D 10/4885KDM4E 1593/4885

“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.