SCHEMBL2219674

SCHEMBL2219674

CC(=O)Oc1ccc(C=CC(=O)C=Cc2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.85
JUN P05412 1/20 0.85
ALOX5 P09917 7/20 0.59
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
HSD11B1 P28845 1/20 0.57
STAT3 P40763 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
NFE2L2 Q16236 1/20 0.57
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
GAA P10253 2/20 0.56
JAK2 O60674 1/20 0.56
VCP P55072 1/20 0.55
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52

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
SCHEMBL3207352 0.92 NFKB1 (1.00) NFKB1JUNALOX5CYP1A2CYP2D6
SCHEMBL3207347 0.92 NFKB1 (1.00) NFKB1JUNALOX5CYP1A2CYP2D6
SCHEMBL20144408 0.90 JUN (0.69) NFKB1JUNALOX5KDM4ESMN1; SMN2
SCHEMBL31256668 0.88 JUN (0.68) NFKB1JUNALOX5KDM4ESMN1; SMN2
SCHEMBL2294213 0.88 JUN (0.68) NFKB1JUNALOX5KDM4ESMN1; SMN2
SCHEMBL2294216 0.88 JUN (0.68) NFKB1JUNALOX5KDM4ESMN1; SMN2
SCHEMBL7017036 0.87 JUN (0.66) NFKB1JUNALOX5KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL8830740 0.87 JUN (0.66) NFKB1JUNALOX5KDM4ESMN1; SMN2
SCHEMBL5934912 0.87 JUN (0.66) NFKB1JUNALOX5KDM4ESMN1; SMN2
SCHEMBL30964227 0.87 JUN (0.66) NFKB1JUNALOX5NFE2L2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053594-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS THE UNIVERSITY OF CHICAGO (US) 2013-02-28 US disclosed
WO-2011084710-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS THE UNIVERSITY OF CHICAGO (US) 2011-07-14 WO disclosed
EP-0232679-B1 SYNTHETIC ORGANIC POLYMERS FOR THE SELECTIVE FLOCCULATION OF TITANIUM AND IRON ORES CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1990-07-25 EP disclosed
US-4698171-A Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-10-06 US disclosed
EP-0232679-A1 Synthetic organic polymers for the selective flocculation of titanium and iron ores CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 1987-08-19 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-20130053594-A1 METHODS OF MAKING SELF-HEALING POLYMER AND GEL COMPOSITIONS PCNA, PUF60, PPIG NFKB1 1060/4885JUN 1162/4885ALOX5 659/4885

“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.