SCHEMBL14737644

SCHEMBL14737644

[2H]C([2H])([2H])Oc1ccc(-c2cccc3c2CCC3=O)c(OCC(C)(C)C(=O)OCC)c1OC([2H])([2H])[2H]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.35
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRB3 P13945 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A4 P31645 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ABCB1 P08183 2/20 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
SCHEMBL2588532 0.97 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL2583925 0.97 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL2588522 0.93 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL2589685 0.92 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL2583909 0.92 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL14737779 0.92 ALDH1A1 (0.47) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL14737187 0.91 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL2590692 0.89 ALDH1A1 (0.44) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL2589004 0.89 ALDH1A1 (0.44) ALDH1A1GAAKDM4EHPGDS1PR1
SCHEMBL14737178 0.88 ALDH1A1 (0.37) ALDH1A1GAAKDM4EHPGDS1PR1

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 824/4885GAA 202/4885KDM4E 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.