SCHEMBL2591966

SCHEMBL2591966

CCCCOC(=O)C1(Oc2c(-c3cccc4c3CNC4=O)ccc(OC)c2OC)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ELANE P08246 2/20 0.35
PDE4D Q08499 1/20 0.35
KDR P35968 7/20 0.34
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ROCK1 Q13464 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLK4 O00444 1/20 0.33
AURKA O14965 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
SCHEMBL2591018 0.95 KDR (0.35) PDE4DKDRHDAC4HDAC2HDAC8
SCHEMBL2591824 0.91 KDR (0.37) KMT2AKDRHDAC4HDAC2HDAC8
SCHEMBL2589375 0.87 KDR (0.40) KDRHDAC4HDAC2HDAC8ROCK1
SCHEMBL2586039 0.86 KDR (0.35) PDE4DKDRHDAC4HDAC2HDAC8
SCHEMBL14737175 0.86 KDR (0.34) KMT2AKDRHDAC4HDAC2HDAC8
SCHEMBL2591979 0.85 ALDH1A1 (0.45) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL14737512 0.85 PDE4D (0.45) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL2594049 0.84 PDE1C (0.34) KMT2AKDRHDAC4HDAC2HDAC8
SCHEMBL2584442 0.84 PDE4D (0.35) CYP1A2CYP3A4CYP2C9CYP2C19PDE4D
SCHEMBL14734772 0.84 KDR (0.41) KDRHDAC4HDAC2HDAC8ROCK1

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 7 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-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 CYP1A2 167/4885CYP3A4 324/4885CYP2C9 889/4885

“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.