SCHEMBL4733996

SCHEMBL4733996

COc1ccc(/C(=C/C#N)c2ccc(F)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.73
PDE4B Q07343 18/20 0.73
PDE4C Q08493 18/20 0.73
PDE4D Q08499 18/20 0.73
NFE2L2 Q16236 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL4734003 1.00 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DNFE2L2
SCHEMBL4733999 1.00 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DNFE2L2
SCHEMBL4619766 0.91 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4927520 0.86 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4821336 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL27684141 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4821329 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL8561565 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL4816601 0.81 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL8500731 0.81 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D

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
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 PDE4A 1392/4885PDE4B 1612/4885PDE4C 1599/4885

“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.