SCHEMBL1662067

SCHEMBL1662067

CCOP(=O)(OCC)OCC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.45
PPARD Q03181 2/20 0.39
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
DUSP3 P51452 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
LPAR5 Q9H1C0 2/20 0.35
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
LPAR6 P43657 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
Triethyl Phosphate SCHEMBL20741196 0.89 TSHR (0.62) TSHRSMN1; SMN2PPARDCYP3A4LMNA
SCHEMBL2918083 0.89 SMN1; SMN2 (0.47) TSHRSMN1; SMN2USP2CYP3A4L3MBTL1
SCHEMBL29035058 0.86 SMN1; SMN2 (0.45) TSHRSMN1; SMN2PPARDUSP2KDM4E
SCHEMBL18541838 0.82 SMN1; SMN2 (0.44) TSHRSMN1; SMN2PPARDUSP2KDM4E
SCHEMBL46668 0.82 SMN1; SMN2 (0.44) TSHRSMN1; SMN2PPARDUSP2KDM4E
SCHEMBL27810796 0.82 TSHR (0.52) TSHRPPARDCYP3A4L3MBTL1LPAR5
SCHEMBL16417845 0.82 SMN1; SMN2 (0.44) TSHRSMN1; SMN2PPARDUSP2KDM4E
SCHEMBL24713125 0.81 SMN1; SMN2 (0.46) TSHRSMN1; SMN2USP2CYP3A4L3MBTL1
SCHEMBL25332055 0.81 SMN1; SMN2 (0.46) TSHRSMN1; SMN2USP2CYP3A4L3MBTL1
SCHEMBL13688123 0.81 SMN1; SMN2 (0.46) TSHRSMN1; SMN2USP2CYP3A4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130047887-A1 NOVEL MULTIFUNCTIONAL MOLECULES FOR DENTAL BONDING APPLICATIONS HAVING IMPROVED ADHESION SEPTODONT, CONFI-DENTAL DIVISION (US) 2013-02-28 US disclosed
EP-2482787-A2 NOVEL MULTIFUNCTIONAL MOLECULES FOR DENTAL BONDING APPLICATIONS HAVING IMPROVED ADHESION Septodont Confi-Dental Division (US) 2012-08-08 EP disclosed
WO-2011041677-A2 NOVEL MULTIFUNCTIONAL MOLECULES FOR DENTAL BONDING APPLICATIONS HAVING IMPROVED ADHESION SEPTODONT, CONFI-DENTAL DIVISION (US) 2011-04-07 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 (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-20130047887-A1 NOVEL MULTIFUNCTIONAL MOLECULES FOR DENTAL BONDING APPLICATIONS HAVING IMPROVED ADHESION CAD, ILK, ICAM1 TSHR 4837/4885SMN1; SMN2 2801/4885PPARD 4279/4885

“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.