SCHEMBL4156214

SCHEMBL4156214

CCOP(=O)(COc1cccc(O)c1)OCC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
CYP3A4 P08684 1/20 0.44
CHRNB4 P30926 3/20 0.43
CHRNA3 P32297 3/20 0.43
APP P05067 1/20 0.43
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL4167582 0.83 TDP1 (0.47) MAPK1
SCHEMBL23733048 0.81 MAOB (0.46)
SCHEMBL13654080 0.81 KMT2A (0.58)
SCHEMBL9055584 0.80 CYP2C9 (0.55) MAPK1CYP2C9CYP2C19
SCHEMBL13654172 0.80 POLB (0.43) MAPK1
SCHEMBL13659077 0.79 TP53 (0.36) CYP3A4MAPK1EGFRCYP2C9CYP2C19
SCHEMBL13538700 0.79 KDM4E (0.50) MAPK1
SCHEMBL4104850 0.78 CCNT1 (0.44) CYP3A4
SCHEMBL20582500 0.78 CYP3A4 (0.46) CHRNB2CHRNA4CYP3A4CHRNB4CHRNA3
SCHEMBL13654559 0.77 KMT2A (0.42) MAPK1

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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
CN-101410120-A Anti-inflammatory phosphonate compounds GILEAD SCIENCES INC (US) 2009-04-15 CN 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 CHRNB2 4688/4885CHRNA4 4415/4885CYP3A4 1894/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES CHRNB2 4688/4885CHRNA4 4415/4885CYP3A4 1894/4885

“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.