SCHEMBL6846508

SCHEMBL6846508

COc1cc(/C=C/c2cc(CO)[nH]n2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.74
APP P05067 11/20 0.72
PTGS2 P35354 3/20 0.72
PRKCE Q02156 3/20 0.72
PRKCQ Q04759 3/20 0.72
PRKCD Q05655 3/20 0.72
MAPT P10636 3/20 0.72
ALOX5 P09917 2/20 0.72
ALOX12 P18054 2/20 0.72
NFKB1 P19838 2/20 0.72
STAT3 P40763 2/20 0.72
NFKB2 Q00653 2/20 0.72
RELA Q04206 2/20 0.72
CAMK2A Q9UQM7 2/20 0.72
KDR P35968 1/20 0.72
TTR P02766 1/20 0.54
NFE2L2 Q16236 1/20 0.52
TYR P14679 1/20 0.51

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
SCHEMBL6846511 1.00 MMP9 (0.74) MMP9APPPTGS2PRKCEPRKCQ
SCHEMBL9553564 0.90 MMP9 (0.74) MMP9APPPTGS2PRKCEPRKCQ
SCHEMBL6841452 0.89 MMP9 (0.73) MMP9APPPTGS2PRKCEPRKCQ
SCHEMBL6841454 0.89 MMP9 (0.73) MMP9APPPTGS2PRKCEPRKCQ
SCHEMBL7219703 0.85 MMP9 (1.00) MMP9APPPTGS2PRKCEPRKCQ
SCHEMBL7874021 0.85 MMP9 (1.00) MMP9APPPTGS2PRKCEPRKCQ
Curcumin Pyrazole SCHEMBL13907614 0.84 APP (1.00) MMP9APPPTGS2PRKCEPRKCQ
Curcumin Pyrazole SCHEMBL9553585 0.84 APP (1.00) MMP9APPPTGS2PRKCEPRKCQ
Curcumin Pyrazole SCHEMBL29798918 0.84 APP (1.00) MMP9APPPTGS2PRKCEPRKCQ
SCHEMBL17691387 0.83 APP (0.81) MMP9APPPTGS2PRKCEPRKCQ

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MMP9 1178/4885APP 1186/4885PTGS2 429/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MMP9 1178/4885APP 1186/4885PTGS2 429/4885

“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.