SCHEMBL3677096

SCHEMBL3677096

COc1ccc(C(C)=O)c(O)c1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 1/20 0.46
PDE4B Q07343 10/20 0.44
PDE4A P27815 8/20 0.44
PDE4C Q08493 8/20 0.44
MAPK14 Q16539 1/20 0.44
POLB P06746 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL3680848 0.88 PDE4D (0.54) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL3681993 0.83 PDE4D (0.50) PDE4DMAPTTDP1KMT2APDE4B
SCHEMBL335038 0.80 MAPT (0.73) MAPTTDP1KMT2AKDM4EALDH1A1
SCHEMBL29405531 0.80 MAPT (0.73) MAPTTDP1KMT2AKDM4EALDH1A1
SCHEMBL12760825 0.78 MAPT (0.43) PDE4DMAPTTDP1KMT2APDE4B
SCHEMBL8748732 0.77 KMT2A (0.52) PDE4DMAPTTDP1KMT2APDE4B
SCHEMBL12760903 0.77 MAPT (0.47) PDE4DMAPTTDP1KMT2APDE4B
SCHEMBL885060 0.76 PDE4D (0.83) PDE4DPDE4BPDE4APDE4C
SCHEMBL730521 0.75 PDE5A (0.48) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL731158 0.75 PDE5A (0.48) PDE4DKMT2APDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745646-B2 Bicyclic heteroaryl inhibitors of PDE4 KALYPSYS, INC. (US) 2010-06-29 US disclosed
US-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 Govek, Steven (US) 2008-01-31 US disclosed
WO-2008006051-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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-20080027112-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C PDE4D 9/4885MAPT 4437/4885TDP1 344/4885

“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.