SCHEMBL3299356

SCHEMBL3299356

COc1ccc(C(=O)O)c2c1OC1(CCOCC1)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
PDE4A P27815 2/20 0.44
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CDC25B P30305 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MYC P01106 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
CA12 O43570 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
SCHEMBL5722764 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10LMNAPDE4A
SCHEMBL3304143 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10LMNAPDE4A
SCHEMBL3311505 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10LMNAPDE4A
SCHEMBL3305218 0.85 PDE4A (0.45) ALDH1A1KDM4EHSD17B10LMNAPDE4A
SCHEMBL3302363 0.82 CYP2D6 (0.41) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL3302030 0.80 PDE4A (0.39) ALDH1A1KDM4EHSD17B10LMNAPDE4A
SCHEMBL6837909 0.79 MAPT (0.47) ALDH1A1KDM4EHSD17B10LMNAMAPT
SCHEMBL3307253 0.76 PDE4A (0.62) PDE4A
SCHEMBL3304195 0.76 PDE4A (0.77) PDE4A
SCHEMBL5722749 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10LMNAPDE4A

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-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
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 ALDH1A1 372/4885KDM4E 1235/4885HSD17B10 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.