SCHEMBL14737116

SCHEMBL14737116

COc1ccc(-c2cccc3c2CCC3=O)c(OC(=O)C(C)C)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 2/20 0.56
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGFR1 P11362 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
S100A4 P26447 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39

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
SCHEMBL14738491 0.89 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL14737619 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL14735830 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL2591400 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL14737231 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL2593158 0.84 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL14735905 0.83 HDAC4 (0.41) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL2588630 0.83 HPGD (0.54) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL2592359 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHDAC4HDAC2
SCHEMBL14734836 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHDAC4HDAC2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 US claimed
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

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 824/4885KDM4E 1593/4885HPGD 1088/4885

“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.