SCHEMBL14736737

SCHEMBL14736737

CCCOC(=O)C(C)(C)COc1c(-c2cccc3c2CCC3=O)ccc(OC)c1OC.COc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)C(=O)OC(C)C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 2/20 0.33
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
BAP1 Q92560 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADRB3 P13945 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A4 P31645 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PDE4D Q08499 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL14736959 0.94 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL14737387 0.93 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL14738202 0.89 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAAHDAC4
SCHEMBL2591753 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL2589573 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAHDAC4
SCHEMBL2585831 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL2593126 0.88 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAHDAC4
SCHEMBL14736974 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL14737339 0.87 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EGAAHSD17B10
SCHEMBL14737638 0.87 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EGAAHSD17B10

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 3 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 US 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 ALDH1A1 824/4885HPGD 1088/4885KDM4E 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.