SCHEMBL3367972

SCHEMBL3367972

O=S(O)C1CCCCCCC1.[NaH]

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
EPHX1 P07099 5/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL3347229 1.00 CES2 (0.35) CES2CES1EPHX1NPC1RAB9A
SCHEMBL10011094 0.97 CES2 (0.36) CES2CES1EPHX1NPC1RAB9A
SCHEMBL2851282 0.97
SCHEMBL2853295 0.97 CES2 (0.36) CES2CES1EPHX1NPC1RAB9A
SCHEMBL10012153 0.97 CES2 (0.36) CES2CES1EPHX1NPC1RAB9A
SCHEMBL11328673 0.94 CES2 (0.35) CES2CES1EPHX1NPC1RAB9A
SCHEMBL14993205 0.94 CES2 (0.35) CES2CES1EPHX1NPC1RAB9A
SCHEMBL7632244 0.94 CES2 (0.35) CES2CES1EPHX1NPC1RAB9A
SCHEMBL10012897 0.94
SCHEMBL9994035 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249221-B1 DENTAL ADHESIVE COMPOSITION TOKUYAMA DENTAL CORP (JP) 2010-10-13 EP disclosed
US-6759449-B2 NONCROSSLINKING POLYMETHYL METHACRYLATE AND POLYETHYL METH-ACRYLATE SPHERICAL FILLER, UNSATURATED ACID FUNCTIONALIZED MONOMER AND POLYMERIZATION INITIATOR TOKUYAMA DENTAL CORPORATION (JP) 2004-07-06 US disclosed
US-20030050359-A1 Dental adhesive composition TOKUYAMA DENTAL CORPORATION (JP) 2003-03-13 US disclosed
EP-1249221-A1 DENTAL ADHESIVE COMPOSITION Tokuyama Dental Corporation (JP) 2002-10-16 EP 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 (1 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-20030050359-A1 Dental adhesive composition CAD, ASIC1, CD44 CES2 3985/4885CES1 4283/4885EPHX1 1167/4885

“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.