SCHEMBL15344012

SCHEMBL15344012

COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC(=O)C(C)c3ccc(CC(C)C)cc3)c(OC)c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.56
BACE1 P56817 3/20 0.56
HDAC1 Q13547 5/20 0.55
HDAC2 Q92769 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
GLO1 Q04760 2/20 0.51
CYP2D6 P10635 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALOX5 P09917 2/20 0.49
NFKB1 P19838 2/20 0.49
HSD11B1 P28845 2/20 0.49
STAT3 P40763 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
NFE2L2 Q16236 2/20 0.49
HTR1A P08908 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
CXCL12 P48061 1/20 0.46
CA12 O43570 3/20 0.46
CA4 P22748 3/20 0.46

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
SCHEMBL15344009 1.00 GSK3B (0.56) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15344008 1.00 GSK3B (0.56) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15340503 0.91 HDAC1 (0.53) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15340502 0.91 HDAC1 (0.53) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15340504 0.91 HDAC1 (0.53) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL14217614 0.86 KDM4E (0.56) NFKB1NFE2L2CA12CA4CA6
SCHEMBL15343964 0.85 HDAC1 (0.58) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15343963 0.85 HDAC1 (0.58) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15343965 0.85 HDAC1 (0.58) GSK3BBACE1HDAC1HDAC2HDAC8
SCHEMBL15344036 0.81 GSK3B (0.54) GSK3BBACE1HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 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-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 GSK3B 2207/4885BACE1 4155/4885HDAC1 2348/4885

“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.