SCHEMBL566053

SCHEMBL566053

C=CCNc1cccc(Oc2ccc(NCC=C)c(O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CACNA1B Q00975 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MITF O75030 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HCAR3 P49019 1/20 0.35
MAOB P27338 1/20 0.35
TGM2 P21980 1/20 0.35
LPAR1 Q92633 1/20 0.35
LPAR2 Q9HBW0 1/20 0.35
LPAR3 Q9UBY5 1/20 0.35

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
SCHEMBL566055 0.89 CA12 (0.37) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL566192 0.87 CA12 (0.43) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL565603 0.87 GAA (0.48) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL564660 0.82 FFAR4 (0.36) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL565803 0.77 GAA (0.37) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL566190 0.76 GAA (0.48) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL566211 0.76 CA1 (0.43) HTTGAAGLARAB9ASMN1; SMN2
SCHEMBL1220014 0.74 CYP3A4 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL9240095 0.74 KDM4E (0.41) GAACA12CA1CA2CA9
SCHEMBL31591724 0.74 CYP3A4 (0.47) CA12CA1CA2CA9ALDH1A1

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 6 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

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 HTT 400/4885GAA 3993/4885GLA 4099/4885

“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.