SCHEMBL3680848

SCHEMBL3680848

COc1ccc(C(C)=O)c(OC2CCCC2)c1OC1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.54
KMT2A Q03164 1/20 0.48
PDE4B Q07343 10/20 0.46
MAPK14 Q16539 1/20 0.46
PDE4A P27815 8/20 0.46
PDE4C Q08493 8/20 0.46
POLB P06746 1/20 0.45
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL3677096 0.88 PDE4D (0.49) PDE4DKMT2APDE4BMAPK14PDE4A
SCHEMBL3682055 0.82 PDE4D (0.57) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL8748732 0.79 KMT2A (0.52) PDE4DKMT2APDE4BMAPK14PDE4A
SCHEMBL730521 0.77 PDE5A (0.48) PDE4DKMT2APDE4BMAPK14PDE4A
SCHEMBL731158 0.77 PDE5A (0.48) PDE4DKMT2APDE4BMAPK14PDE4A
SCHEMBL27435238 0.75 PDE4D (0.51) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL731126 0.75 PDE5A (0.44) PDE4DKMT2APDE4BMAPK14PDE4A
SCHEMBL12760825 0.75 MAPT (0.43) PDE4DKMT2APDE4BPDE4APDE4C
SCHEMBL30069060 0.75 ALDH1A1 (0.59) PDE4DKMT2AKDM4EALDH1A1LMNA
SCHEMBL1421887 0.75 ALDH1A1 (0.59) PDE4DKMT2AKDM4EALDH1A1LMNA

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 9/4885KMT2A 3640/4885PDE4B 2/4885

“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.