SCHEMBL4554858

SCHEMBL4554858

COC(=O)c1ccc(OC)c2c1OCC1(CO2)OCCO1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
ALDH1A1 P00352 7/20 0.57
HSD17B10 Q99714 6/20 0.57
LMNA P02545 3/20 0.57
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 2/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4467144 0.84 KDM4E (0.73) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL3301916 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL3302759 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL3305912 0.82 KDM4E (0.51) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL858141 0.81 KDM4E (0.65) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL8169222 0.81 KDM4E (0.50) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL5683830 0.81 KDM4E (0.59) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL8165752 0.80 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL3307771 0.80 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNASMN1; SMN2
SCHEMBL3302729 0.80 KDM4E (0.49) KDM4EALDH1A1HSD17B10LMNAPOLB

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 9 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-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 1235/4885ALDH1A1 372/4885HSD17B10 592/4885

“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.