SCHEMBL4189997

SCHEMBL4189997

CCOC(C)Oc1cccc(B(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.53
LPL P06858 2/20 0.40
LIPG Q9Y5X9 2/20 0.40
NLRP3 Q96P20 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MGLL Q99685 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL20885297 0.83 LMNA (0.44) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL29955003 0.81 ENPP2 (0.56) ENPP2LPLLIPGNLRP3KDM4E
SCHEMBL4194746 0.80 CA2 (0.47) ENPP2LPLLIPGMGLLCA1
SCHEMBL7998 0.80 ENPP2 (0.63) ENPP2NLRP3KDM4EALDH1A1MGLL
SCHEMBL23975529 0.79 CYP3A4 (0.47) NLRP3ALDH1A1CA2LMNA
SCHEMBL28453841 0.79 HPGD (0.44) LMNA
SCHEMBL3577660 0.78 ENPP2 (0.61) ENPP2LPLLIPGNLRP3KDM4E
SCHEMBL1785537 0.77 ENPP2 (0.51) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL16981249 0.77 ACHE (0.47) ALDH1A1LMNASMN1; SMN2
SCHEMBL544377 0.77 MTNR1A (0.49) ALDH1A1LMNA

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
US-7521581-B2 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION (JP) 2009-04-21 US disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 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-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 ENPP2 1338/4885LPL 4590/4885LIPG 4703/4885

“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.