SCHEMBL2589604

SCHEMBL2589604

CCOC(=O)COc1c(-c2ccc3c(c2)CCC3=O)ccc(OC)c1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.47
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38

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
SCHEMBL2592145 0.96 HSD17B1 (0.47) HSD17B1BRD4ALDH1A1CYP1A2CYP2C19
SCHEMBL2591193 0.93 HSD17B1 (0.44) HSD17B1BRD4ALDH1A1CYP1A2CYP2C19
SCHEMBL2584558 0.93 HSD17B1 (0.47) HSD17B1BRD4ALDH1A1KDM4EHPGD
SCHEMBL2592565 0.91 HSD17B1 (0.43) HSD17B1BRD4ALDH1A1CYP1A2CYP2C19
SCHEMBL2591136 0.91 BRD4 (0.43) HSD17B1BRD4ALDH1A1KDM4EHPGD
SCHEMBL2584505 0.90 HSD17B1 (0.42) HSD17B1BRD4ALDH1A1KDM4EHPGD
SCHEMBL2590148 0.89 HSD17B1 (0.44) HSD17B1BRD4ALDH1A1CYP1A2CYP2C19
SCHEMBL2591419 0.89 HSD17B1 (0.43) HSD17B1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL2591475 0.88 HSD17B1 (0.45) HSD17B1BRD4ALDH1A1KDM4EHPGD
SCHEMBL2589281 0.87 HSD17B1 (0.45) HSD17B1ALDH1A1KDM4EHPGDPDE4D

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 122/4885BRD4 333/4885ALDH1A1 824/4885

“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.