SCHEMBL4160646

SCHEMBL4160646

O=C(c1ccccc1)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 0.61
PDE4B Q07343 6/20 0.61
PDE4C Q08493 6/20 0.61
PDE4D Q08499 6/20 0.61
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP2D6 P10635 1/20 0.50
HPGD P15428 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
SRD5A2 P31213 1/20 0.46
ELANE P08246 1/20 0.45

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
SCHEMBL15100708 0.86 MAPT (0.48) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL1029279 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL30668123 0.79 ATM (0.59) ATMTDP1L3MBTL1HPGDPTGS1
SCHEMBL14033164 0.79 ATM (0.59) ATMTDP1L3MBTL1HPGDPTGS1
SCHEMBL7266265 0.79 MAPT (0.60) ATMTSHRMAPTALDH1A1SRD5A2
SCHEMBL4827006 0.78 ALDH1A1 (0.53) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL6814857 0.77 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL29440119 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL142851 0.77 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL142115 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 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 (2 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
US-20060199788-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.