SCHEMBL3873741

SCHEMBL3873741

CCOC(=O)c1ccc(OC(F)F)c2oc3c(=O)n(C4CCCC4)ncc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.36
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CDK4 P11802 3/20 0.34
CCND1 P24385 3/20 0.34
PDE4D Q08499 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
FGFR1 P11362 1/20 0.34
CCNA2 P20248 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
CDK2 P24941 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL72926 0.87 PDE4D (0.37) PDE4BPDE4DPDE4APDE4CPOLB
SCHEMBL73992 0.84 PDE4B (0.39) PDE4BLMNAMAPTPDE4DPDE4A
SCHEMBL5504865 0.81 ALDH1A1 (0.39) PDE4BALDH1A1PDE4DPDE4APDE4C
SCHEMBL84902 0.80 PDE4D (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL75082 0.80 ALDH1A1 (0.44) PDE4BLMNAALDH1A1MAPTTSHR
SCHEMBL73450 0.76 ALDH1A1 (0.39) PDE4BLMNAALDH1A1NPSR1PDE4D
SCHEMBL5504175 0.76 PDE9A (0.37)
SCHEMBL73771 0.74 PDE4D (0.40) PDE4BLMNAALDH1A1MAPTNPSR1
SCHEMBL73046 0.74 PDE4D (0.44) PDE4BLMNAALDH1A1MAPTTSHR
SCHEMBL73417 0.73 PDE4D (0.38) PDE4BPDE4DPDE4APDE4CKDM4E

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
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed
EP-1831227-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS Glenmark Pharmaceuticals S.A. (CH) 2007-09-12 EP claimed
WO-2006064355-A2 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS S.A. (US) 2006-06-22 WO claimed

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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A PDE4B 6/4885LMNA 4490/4885ALDH1A1 1591/4885

“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.