SCHEMBL4169306

SCHEMBL4169306

CCC(C)OP(=O)(O)COc1ccc(C(C)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
MAOB P27338 8/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL5198822 0.88 NPSR1 (0.39) MAPTNPSR1LMNAPOLBGAA
SCHEMBL4172471 0.83 KDM4E (0.43) MAPTPOLBMAOBALDH1A1
SCHEMBL9055592 0.82 CYP2C9 (0.54) MAPTLMNA
SCHEMBL3187016 0.81 ALDH1A1 (0.43) MAPTLMNAALDH1A1HPGDRAB9A
SCHEMBL1987239 0.80 KMT2A (0.43) MAPTNPSR1LMNAPOLBL3MBTL1
SCHEMBL8727337 0.78 TAAR1 (0.41) MAOB
SCHEMBL4156218 0.74 CHRNB2 (0.41)
SCHEMBL4167588 0.74 FDPS (0.44) LMNAPOLBL3MBTL1GAA
SCHEMBL31664473 0.74 MAPT (0.53) MAPTNPSR1LMNAPOLBL3MBTL1
SCHEMBL4169303 0.72 L3MBTL1 (0.54) MAPTNPSR1LMNAPOLBL3MBTL1

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 MAPT 2574/4885NPSR1 716/4885LMNA 2591/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES MAPT 2574/4885NPSR1 716/4885LMNA 2591/4885

“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.