SCHEMBL10779323

SCHEMBL10779323

COc1ccc(-c2ccc(=O)[nH]n2)cc1OC(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 1.00
PDE4B Q07343 7/20 1.00
PDE4C Q08493 7/20 1.00
PDE4D Q08499 7/20 1.00
PDE3B Q13370 6/20 1.00
PDE3A Q14432 6/20 1.00
LMNA P02545 3/20 0.90
CYP1A2 P05177 3/20 0.90
MAPK1 P28482 3/20 0.90
SMN1; SMN2 Q16637 3/20 0.90
CYP2C9 P11712 2/20 0.90
CYP2C19 P33261 2/20 0.90
TP53 P04637 1/20 0.90
HPGD P15428 1/20 0.90
TSHR P16473 1/20 0.90
BLM P54132 1/20 0.90
PMP22 Q01453 1/20 0.90
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.46

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
Zardaverine SCHEMBL15263214 0.95 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
Zardaverine SCHEMBL29388700 0.95 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
Zardaverine SCHEMBL13334 0.95 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10761953 0.88 PDE4B (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8479743 0.87 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10764347 0.83 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21969548 0.83 PDE3A (0.70) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10757789 0.80 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8633588 0.80 PDE4D (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8996757 0.80 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-4665074-A CARDIOTONIC, BRONCHOSPASMOLYTIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-05-12 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES PDE4A 432/4885PDE4B 530/4885PDE4C 648/4885

“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.