SCHEMBL3304223

SCHEMBL3304223

COC(=O)c1ccc(OC)c2c1OC1(CCNCC1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
KCNH2 Q12809 1/20 0.36
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
PDE4A P27815 2/20 0.34
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.33
GLA P06280 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3311505 0.88 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10LMNASIGMAR1
SCHEMBL5722749 0.88 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL3304143 0.85 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL3303826 0.84 PDE4A (0.47) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL3304082 0.80 PDE4A (0.41) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL3304549 0.76 PDE4A (0.62) PDE4A
SCHEMBL5722764 0.75 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL3299356 0.73 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL3305218 0.72 PDE4A (0.45) KDM4EALDH1A1HSD17B10LMNACASP1
SCHEMBL17375277 0.72 KDM4E (0.54) KDM4EALDH1A1HSD17B10LMNACASP1

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 1235/4885ALDH1A1 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.