SCHEMBL4186448

SCHEMBL4186448

CCc1nn(C2CCCCC2)cc1-c1ccc(OC)c(OC2CCCO2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.42
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
PDE4D Q08499 5/20 0.37
PDE4A P27815 5/20 0.36
KDM1A O60341 1/20 0.36
PDE4C Q08493 3/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
PI4KB Q9UBF8 2/20 0.35
PIK3CD O00329 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 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
SCHEMBL4180651 0.78 PDE4B (0.44) PDE4BGAAMAPK1TSHRPDE4D
SCHEMBL3607474 0.78 PDE4B (0.42) PDE4BGAAMAPK1TSHRPDE4D
SCHEMBL4190830 0.75 PDE4B (0.45) PDE4BGAAMAPK1TSHRPDE4D
SCHEMBL3596979 0.74 PDE4B (0.44) PDE4BGAAMAPK1TSHRPDE4D
SCHEMBL3604579 0.73 PDE4B (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL5793483 0.71 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CPI4KB
SCHEMBL3605765 0.71 PDE4B (0.43) PDE4BPDE4DPDE4APDE4CPI4KB
SCHEMBL3600833 0.71 PDE4B (0.44) PDE4BGAAMAPK1TSHRPDE4D
SCHEMBL3608923 0.70 PDE4B (0.46) PDE4BPDE4DPDE4APDE4CALDH1A1
SCHEMBL3610448 0.69 PDE4B (0.45) PDE4BGAAMAPK1TSHRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2009-09-03 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-20090221661-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885GAA 1258/4885MAPK1 2203/4885

“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.