SCHEMBL2591404

SCHEMBL2591404

COc1ccc(-c2cccc3c2CNC3=O)c(OCCOC(=O)CC2CCCC2)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 6/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 1/20 0.33
ROCK2 O75116 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
LCK P06239 1/20 0.33
CDK1 P06493 1/20 0.33

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
SCHEMBL2589385 0.87 KDR (0.35) HPGDALDH1A1KMT2AKDRHDAC4
SCHEMBL2592256 0.87 HDAC4 (0.37) ALDH1A1KDRL3MBTL1HDAC4HDAC2
SCHEMBL2589712 0.86 KMT2A (0.35) HPGDALDH1A1KMT2AKDRHDAC4
SCHEMBL2593027 0.85 KDR (0.35) HPGDALDH1A1KDRHDAC4HDAC2
SCHEMBL2588339 0.85 ALDH1A1 (0.45) HPGDALDH1A1KMT2AL3MBTL1HDAC4
SCHEMBL2584840 0.85 HPGD (0.35) HPGDKDRL3MBTL1HDAC4HDAC2
SCHEMBL2585988 0.85 KDR (0.36) ALDH1A1KDRHDAC4HDAC2HDAC8
SCHEMBL2583892 0.85 TSHR (0.38) ALDH1A1KMT2AKDRL3MBTL1HDAC4
SCHEMBL2588166 0.85 HDAC4 (0.39) KDRHDAC4HDAC2HDAC8PLK4
SCHEMBL14737777 0.85 PDE4D (0.38) HPGDALDH1A1KMT2AL3MBTL1HDAC4

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 HPGD 1088/4885ALDH1A1 824/4885KMT2A 2533/4885

“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.