SCHEMBL4156218

SCHEMBL4156218

CCC(C)OP(=O)(O)COc1cccc(O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 5/20 0.39
CHRNA3 P32297 5/20 0.39
CYP3A4 P08684 1/20 0.39
APP P05067 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRB3 P13945 2/20 0.36
ADRB2 P07550 1/20 0.36
SLC22A1 O15245 1/20 0.35
OPRM1 P35372 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL4167588 0.86 FDPS (0.44) ADRB2
SCHEMBL9055592 0.84 CYP2C9 (0.54) CYP2C9CYP2C19
SCHEMBL4172471 0.76 KDM4E (0.43) CYP2C9CYP2C19MAPK1ADRB3ADRB2
SCHEMBL1011308 0.74 MME (0.49)
SCHEMBL4169306 0.74 MAPT (0.48)
SCHEMBL3187016 0.74 ALDH1A1 (0.43) CYP2C9CYP2C19ADRB3ADRB2
SCHEMBL5198822 0.73 NPSR1 (0.39) CYP2C9CYP2C19MAPK1ADRB3ADRB2
SCHEMBL3173884 0.73 CYP3A4 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4
SCHEMBL9987307 0.73 CYP3A4 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4
SCHEMBL4156214 0.73 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CYP3A4

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 CHRNB2 4688/4885CHRNA4 4415/4885CHRNB4 4509/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES CHRNB2 4688/4885CHRNA4 4415/4885CHRNB4 4509/4885

“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.