SCHEMBL3307771

SCHEMBL3307771

COC(=O)c1ccc(OC)c2c1OCC1(COCOC1)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.49
HSD17B10 Q99714 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
PDE4A P27815 3/20 0.39
KMT2A Q03164 3/20 0.36
GAA P10253 4/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AGER Q15109 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
GLA P06280 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL3301916 0.95 KDM4E (0.51) KDM4EHSD17B10ALDH1A1LMNAPDE4A
SCHEMBL3305912 0.86 KDM4E (0.51) KDM4EHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL3302759 0.86 KDM4E (0.51) KDM4EHSD17B10ALDH1A1LMNAPDE4A
SCHEMBL3302729 0.84 KDM4E (0.49) KDM4EHSD17B10ALDH1A1LMNAPDE4A
SCHEMBL5683830 0.83 KDM4E (0.59) KDM4EHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL3306432 0.82 KDM4E (0.47) KDM4EHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL8169222 0.80 KDM4E (0.50) KDM4EHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL4554858 0.80 KDM4E (0.57) KDM4EHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL4467144 0.80 KDM4E (0.73) KDM4EHSD17B10ALDH1A1LMNAKMT2A
SCHEMBL8165752 0.79 KDM4E (0.49) KDM4EHSD17B10ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
US-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2010-04-22 US disclosed
EP-2114951-A2 NOVEL PHOSPHODIESTERASE INHIBITORS Leo Pharma A/S (DK) 2009-11-11 EP disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 WO disclosed
WO-2008104175-A2 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2008-09-04 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-20100099688-A1 NOVEL PHOSPHODIESTERASE INHIBITORS PDE3A, PDE5A, PDE3B KDM4E 1235/4885HSD17B10 592/4885ALDH1A1 372/4885

“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.