SCHEMBL885177

SCHEMBL885177

COC(=O)c1ccc(OC)c(OC)c1OCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.57
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MIF P14174 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42

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
SCHEMBL1434844 0.88 PDE4D (0.60) PDE4DPKMALDH1A1POLBSMN1; SMN2
SCHEMBL29184862 0.86 PDE4D (0.58) PDE4DPKMALDH1A1POLBSMN1; SMN2
SCHEMBL9774310 0.85 POLB (0.57) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
Methyl 2,3,4-Trimethoxybenzoate SCHEMBL1434191 0.84 ALDH1A1 (0.57) PDE4DPKMALDH1A1POLBKMT2A
SCHEMBL6129096 0.82 POLB (0.65) PDE4DALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL885340 0.82 ALDH1A1 (0.46) PDE4DPKMALDH1A1POLBKMT2A
SCHEMBL885144 0.81 PDE4D (0.64) PDE4DPKMALDH1A1POLBSMN1; SMN2
SCHEMBL16784835 0.80 SMN1; SMN2 (0.53) PDE4DALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL4435177 0.79 ALDH1A1 (0.48) PDE4DPKMALDH1A1POLBSMN1; SMN2
SCHEMBL16784832 0.78 ALOX15 (0.58) PDE4DPKMALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
US-8497380-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2013-07-30 US disclosed
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2013-01-10 US disclosed
US-8324394-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-12-04 US disclosed
US-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS FELDING JAKOB (DK) 2012-06-28 US disclosed
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US disclosed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP disclosed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 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 (3 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-20120165539-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B PDE4D 9/4885PKM 1517/4885ALDH1A1 453/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B PDE4D 8/4885PKM 1638/4885ALDH1A1 457/4885
US-20130012716-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE3B, PDE5A PDE4D 10/4885PKM 2355/4885ALDH1A1 371/4885

“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.