SCHEMBL3259595

SCHEMBL3259595

CCOC(=O)COc1ccccc1CC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.60
ABCB1 P08183 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
PTPN1 P18031 1/20 0.55
NPC1 O15118 1/20 0.55
S1PR4 O95977 1/20 0.55
ITGA4 P13612 1/20 0.55
HPGD P15428 1/20 0.55
S1PR1 P21453 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
TLR9 Q9NR96 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL15550746 0.90 CYP4F2 (0.58) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL2010417 0.89 USP2 (0.67) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL2871402 0.89 PPARD (0.58) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL7235182 0.89 USP2 (0.56) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL9507379 0.86 USP2 (0.57) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL11825493 0.86 GLA (0.68) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL14193732 0.85 USP2 (0.52) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL5098541 0.85 ALDH1A1 (0.56) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL2871937 0.84 MAPT (0.62) USP2ABCB1SMN1; SMN2MAPTNPSR1
SCHEMBL10193137 0.84 PPARD (0.59) SMN1; SMN2MAPTNPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247361-A Phenol-oxazolone/thioketone compound and synthetic method and application thereof 吉首大学 2023-12-19 CN disclosed
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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 (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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 USP2 4540/4885ABCB1 149/4885SMN1; SMN2 3060/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 USP2 4540/4885ABCB1 149/4885SMN1; SMN2 3060/4885

“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.