SCHEMBL6841454

SCHEMBL6841454

COc1cc(C=Cc2cc(CCl)[nH]n2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.73
APP P05067 12/20 0.70
MAPT P10636 4/20 0.70
PTGS2 P35354 3/20 0.70
PRKCE Q02156 3/20 0.70
PRKCQ Q04759 3/20 0.70
PRKCD Q05655 3/20 0.70
ALOX5 P09917 2/20 0.70
ALOX12 P18054 2/20 0.70
NFKB1 P19838 2/20 0.70
STAT3 P40763 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
CAMK2A Q9UQM7 2/20 0.70
KDR P35968 1/20 0.70
TTR P02766 1/20 0.52
NFE2L2 Q16236 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
SCHEMBL6841452 1.00 MMP9 (0.73) MMP9APPMAPTPTGS2PRKCE
SCHEMBL9553564 0.89 MMP9 (0.74) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6846511 0.89 MMP9 (0.74) MMP9APPMAPTPTGS2PRKCE
SCHEMBL6846508 0.89 MMP9 (0.74) MMP9APPMAPTPTGS2PRKCE
SCHEMBL7219703 0.84 MMP9 (1.00) MMP9APPMAPTPTGS2PRKCE
SCHEMBL7874021 0.84 MMP9 (1.00) MMP9APPMAPTPTGS2PRKCE
Curcumin Pyrazole SCHEMBL29798918 0.83 APP (1.00) MMP9APPMAPTPTGS2PRKCE
Curcumin Pyrazole SCHEMBL9553585 0.83 APP (1.00) MMP9APPMAPTPTGS2PRKCE
Curcumin Pyrazole SCHEMBL13907614 0.83 APP (1.00) MMP9APPMAPTPTGS2PRKCE
SCHEMBL3851311 0.79 APP (0.85) MMP9APPMAPTPTGS2PRKCE

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 1186/4885MAPT 899/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MMP9 1178/4885APP 1186/4885MAPT 899/4885

“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.