SCHEMBL21133740

SCHEMBL21133740

CCCCC/C=C/C(=O)/C=C/c1ccc(O)c(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.49
IAPP P10997 3/20 0.48
CYP1A2 P05177 2/20 0.44
ALOX5 P09917 2/20 0.44
CYP2D6 P10635 2/20 0.44
NFKB1 P19838 1/20 0.44
HSD11B1 P28845 1/20 0.44
STAT3 P40763 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HTR1A P08908 4/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
LTA4H P09960 1/20 0.42
CYP2C8 P10632 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL21133741 0.87 APP (0.64) APPIAPPALOX5NFKB1CYP3A4
SCHEMBL13562266 0.85 APP (0.48) APPIAPP
SCHEMBL8409599 0.83 IAPP (0.46) APPIAPPCYP3A4
SCHEMBL8409601 0.83 IAPP (0.46) APPIAPPCYP3A4
SCHEMBL17527415 0.81 CYP2D6 (0.71) APPCYP1A2ALOX5CYP2D6NFKB1
SCHEMBL17527436 0.81 CYP2D6 (0.71) APPCYP1A2ALOX5CYP2D6NFKB1
SCHEMBL5702708 0.81 CYP2D6 (0.69) APPCYP1A2ALOX5CYP2D6NFKB1
SCHEMBL29929008 0.81 CYP2D6 (0.69) APPCYP1A2ALOX5CYP2D6NFKB1
SCHEMBL30334920 0.81 CYP2D6 (0.69) APPCYP1A2ALOX5CYP2D6NFKB1
SCHEMBL30335087 0.81 CYP2D6 (0.69) APPCYP1A2ALOX5CYP2D6NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342766-B2 6-shogaol derivatives and activities thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2019-07-09 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-10342766-B2 6-shogaol derivatives and activities thereof NFE2L2, HMOX1, KEAP1 APP 2220/4885IAPP 2526/4885CYP1A2 267/4885

“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.