SCHEMBL3679926

SCHEMBL3679926

COc1ccc2c(N)c(F)c(=O)oc2c1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.48
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MIF P14174 1/20 0.39
PDE4A P27815 7/20 0.38
MAOA P21397 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TERT O14746 1/20 0.36

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
SCHEMBL3675552 0.80 PDE4B (0.60) PDE4BALDH1A1KDM4EHPGDTSHR
SCHEMBL3671130 0.77 PDE4B (0.70) PDE4BPDE4APDE4CPDE4D
SCHEMBL3681794 0.75 ALDH1A1 (0.46) PDE4BALDH1A1KDM4EHPGDTSHR
SCHEMBL3678492 0.74 PDE4B (0.62) PDE4BALDH1A1KDM4EHPGDTSHR
SCHEMBL3675535 0.74 PDE4B (0.68) PDE4BALDH1A1KDM4EHPGDTSHR
SCHEMBL2909998 0.73 PDE4A (0.45) PDE4BPDE4AKMT2APDE4CPDE4D
SCHEMBL4369467 0.72 PDE4B (0.53) PDE4BALDH1A1KDM4EHPGDPDE4A
SCHEMBL21655282 0.71 PDE4A (0.49) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL27655236 0.70 PDE4B (0.42) PDE4BALDH1A1KDM4EPDE4AKMT2A
SCHEMBL3681398 0.69 PDE4B (0.71) PDE4BALDH1A1KDM4EPDE4APDE4C

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 PDE4B 2/4885ALDH1A1 890/4885KDM4E 1489/4885

“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.