SCHEMBL566211

SCHEMBL566211

C=CCNc1ccc(Oc2ccc(O)c(NCC=C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
TGM2 P21980 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HCAR3 P49019 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
XDH P47989 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
SCHEMBL566192 0.88 CA12 (0.43) CA1CA2CA12CA9TGM2
SCHEMBL566190 0.88 GAA (0.48) CA1CA2CA12CA9TGM2
SCHEMBL566055 0.87 CA12 (0.37) CA1CA2CA12CA9TGM2
SCHEMBL565885 0.84 GABRA1 (0.40) CA1CA2CA12CA9TGM2
SCHEMBL5773729 0.82 CA12 (0.53) CA1CA2CA12CA9TGM2
SCHEMBL565603 0.77 GAA (0.48) CA1CA2CA12CA9TGM2
SCHEMBL566053 0.76 HTT (0.36) CA1CA2CA12CA9TGM2
SCHEMBL31497252 0.76 TGM2 (0.56) CA1CA2CA12CA9TGM2
SCHEMBL565803 0.75 GAA (0.37) CA1CA2CA12CA9TGM2
SCHEMBL565833 0.74 CA12 (0.41) CA1CA2CA12CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674029-B2 Method of preparing stabilized polymeric systems using polymeric peroxides Sunocs LLC (US) 2014-03-18 US disclosed
US-20120035307-A1 PROCESS FOR MAKING STABLIZED POLYMERIC SYSTEMS WITH NANOSTRUCTURES SONG CHENGQIAN (US) 2012-02-09 US disclosed
US-20120035315-A1 METHOD OF PREPARING STABLIZED POLYMERIC SYSTEMS USING POLYMERIC PEROXIDES SONG CHENGQIAN (US) 2012-02-09 US disclosed
US-7498467-B2 Antioxidant and bisaminophenol derivative IDEMITSU KOSAN CO., LTD. (JP) 2009-03-03 US disclosed
US-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-07-03 US disclosed
US-20060208227-A1 Antioxidant and bisaminophenol derivative IDEMITSU LOSAN CO., LTD (JP) 2006-09-21 US disclosed
EP-1612254-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2006-01-04 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-20080161608-A1 ANTIOXIDANT AND BISAMINOPHENOL DERIVATIVE CBR1, CBR3, HMOX1 CA1 3199/4885CA2 1653/4885CA12 4316/4885

“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.