SCHEMBL1751689

SCHEMBL1751689

COc1ccc(C(Cc2c(Cl)cncc2Cl)OC(=O)C(C)c2ccc(CC(C)C)cc2)c2c1oc1ccc([N+](=O)[O-])cc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.38
EGFR P00533 3/20 0.34
IGF1R P08069 3/20 0.34
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
PDE5A O76074 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL3662561 0.86 PTGS2 (0.37) PTGS2EGFRIGF1RPDE4APDE4B
SCHEMBL1750793 0.82 PDE4D (0.36) PTGS2EGFRIGF1RPDE4APDE4B
SCHEMBL3661646 0.82 PDE4D (0.36) PTGS2EGFRIGF1RPDE4APDE4B
SCHEMBL1750790 0.82 PDE4D (0.36) PTGS2EGFRIGF1RPDE4APDE4B
SCHEMBL1750791 0.82 PDE4D (0.36) PTGS2EGFRIGF1RPDE4APDE4B
SCHEMBL1751003 0.81 PDE4B (0.39) EGFRIGF1RPDE4APDE4BPDE4C
SCHEMBL1616665 0.75 PDE4D (0.50) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL1616663 0.75 PDE4D (0.50) PTGS2PDE4APDE4BPDE4CPDE4D
SCHEMBL3664326 0.74 PDE4B (0.41) PTGS2EGFRIGF1RPDE4APDE4B
SCHEMBL1750624 0.73 PDE4D (0.50) PDE4APDE4BPDE4CPDE4DTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968724-B2 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2011-06-28 US claimed
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-07-02 US claimed
EP-2070913-A1 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.p.A. (IT) 2009-06-17 EP claimed
US-7968724-B2 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2011-06-28 US disclosed
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-07-02 US disclosed
EP-2070913-A1 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.p.A. (IT) 2009-06-17 EP 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-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE5A PTGS2 528/4885EGFR 4586/4885IGF1R 4107/4885

“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.