SCHEMBL21133741

SCHEMBL21133741

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.64
IAPP P10997 4/20 0.63
PTGS1 P23219 1/20 0.53
TTR P02766 3/20 0.52
DPP4 P27487 2/20 0.52
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
MMP1 P03956 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
CA3 P07451 1/20 0.50
MMP2 P08253 1/20 0.50

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
SCHEMBL21133740 0.87 APP (0.49) APPIAPPCYP3A4ALOX5NFKB1
SCHEMBL17527436 0.86 CYP2D6 (0.71) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL17527415 0.86 CYP2D6 (0.71) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL29929008 0.85 CYP2D6 (0.69) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL29929370 0.85 CYP2D6 (0.69) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL30335087 0.85 CYP2D6 (0.69) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL5702708 0.85 CYP2D6 (0.69) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL30334920 0.85 CYP2D6 (0.69) APPPTGS1KDM4EHSD17B10MEN1
SCHEMBL9681197 0.84 APP (0.59) APPIAPPPTGS1TTRDPP4
SCHEMBL8848105 0.84 APP (0.59) APPIAPPPTGS1TTRDPP4

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 2526/4885PTGS1 37/4885

“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.