SCHEMBL6803450

SCHEMBL6803450

O=C(/C=C/C(=O)OCCOc1cnccc1CCCOc1cccnc1Oc1ccccc1)OCCOc1cnccc1CCCOc1cccnc1Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSPO P30536 3/20 0.36
ALB P02768 1/20 0.36
MAPK8 P45983 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
OPRK1 P41145 2/20 0.36
KCNA3 P22001 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
Fumaric Acid SCHEMBL6844443 0.87 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6803452 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6801692 0.87 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136889 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136761 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136790 0.84 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6137023 0.82 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
Fumaric Acid SCHEMBL6844439 0.81 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136734 0.81 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6136754 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765095-B2 HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-07-20 US disclosed
US-6683186-B2 CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2004-01-27 US disclosed
US-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor KAWASAKI MOTOJI (JP) 2003-10-23 US disclosed
US-6555557-B1 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-29 US 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-20030199554-A1 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor NOX1, CYP4A11, PDE12 PDE4A 16/4885PDE4B 13/4885PDE4C 52/4885

“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.