SCHEMBL14737280

SCHEMBL14737280

COc1ccc(-c2cccc3c2CCC3=O)c(OC(=O)C2CCCC2)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PDE4D Q08499 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ELANE P08246 1/20 0.37
USP2 O75604 1/20 0.37
S100A4 P26447 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37

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
SCHEMBL14737219 1.00 HPGD (0.52) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL14737798 0.98 HPGD (0.52) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL2588630 0.96 HPGD (0.54) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL17613801 0.89 ESR1 (0.41) HPGDKDM4EALDH1A1PDE4DESR1
SCHEMBL14737580 0.86 ALDH1A1 (0.46) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL14736933 0.86 ALDH1A1 (0.46) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL14737500 0.85 PDE4D (0.42) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL14738016 0.84 HPGD (0.49) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL14737497 0.84 PDE4D (0.43) HPGDKDM4EALDH1A1PDE4DHDAC4
SCHEMBL14736785 0.84 ALDH1A1 (0.46) HPGDKDM4EALDH1A1PDE4DHDAC4

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 HPGD 1088/4885KDM4E 1593/4885ALDH1A1 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.