SCHEMBL1751003

SCHEMBL1751003

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.39
PDE4D Q08499 7/20 0.39
PDE4A P27815 6/20 0.39
PDE4C Q08493 6/20 0.39
EGFR P00533 3/20 0.38
IGF1R P08069 3/20 0.38
THRB P10828 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE5A O76074 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3664326 0.84 PDE4B (0.41) PDE4BPDE4DPDE4APDE4CEGFR
SCHEMBL1750624 0.81 PDE4D (0.50) PDE4BPDE4DPDE4APDE4CTHRB
SCHEMBL1751689 0.81 PTGS2 (0.38) PDE4BPDE4DPDE4APDE4CEGFR
SCHEMBL4033314 0.78 PDE4D (0.59) PDE4BPDE4DPDE4APDE4C
SCHEMBL3662561 0.76 PTGS2 (0.37) PDE4BPDE4DPDE4APDE4CEGFR
SCHEMBL6526531 0.73 PDE4D (0.55) PDE4BPDE4DPDE4APDE4CCYP3A4
SCHEMBL3655199 0.73 PDE4D (0.39) PDE4BPDE4DPDE4APDE4CHTT
SCHEMBL1751223 0.73 PTGS2 (0.41) PDE4BPDE4DPDE4APDE4CTHRB
SCHEMBL1751225 0.73 PTGS2 (0.41) PDE4BPDE4DPDE4APDE4CTHRB
SCHEMBL1750895 0.72 HTT (0.43) EGFRIGF1RNPC1RAB9AMEN1

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-2225205-B1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2013-01-02 EP disclosed
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

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 PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885

“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.