SCHEMBL15042796

SCHEMBL15042796

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.55
MMP9 P14780 3/20 0.55
NFKB1 P19838 3/20 0.55
MMP8 P22894 2/20 0.55
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
AKR1C3 P42330 1/20 0.53
MMP13 P45452 1/20 0.49
IAPP P10997 3/20 0.46
PKM P14618 2/20 0.46
PTGS1 P23219 1/20 0.46
ALOX5 P09917 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HSD11B1 P28845 1/20 0.46
STAT3 P40763 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NFE2L2 Q16236 1/20 0.46
BACE1 P56817 3/20 0.45

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
SCHEMBL15249303 0.84 MMP2 (0.51) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL12291332 0.84 FOS (0.67) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL12291330 0.84 BACE1 (0.53) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL4544305 0.83 BACE1 (0.68) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL12593153 0.83 IAPP (0.67) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL30851321 0.83 IAPP (0.67) MMP2MMP9NFKB1AKR1B10AKR1B1
SCHEMBL20978310 0.83 IAPP (0.67) MMP2MMP9NFKB1AKR1B10AKR1B1
SCHEMBL16382586 0.82 MAPT (0.58) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL12555874 0.82 AKR1C3 (0.66) MMP2MMP9NFKB1MMP8AKR1B10
SCHEMBL29395741 0.82 AKR1C3 (0.66) MMP2MMP9NFKB1MMP8AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260473-B2 Bivalent multifunctional ligands targeting Aβ oligomers as treatment for Alzheimer's disease VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-02-16 US disclosed
US-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE VIRGINIA COMMONWEALTH UNIVERSITY (US) 2013-06-20 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-20130156705-A1 BIVALENT MULTIFUNCTIONAL LIGANDS TARGETING A[BETA] OLIGOMERS AS TREATMENT FOR ALZHEIMER'S DISEASE LDLR, NR1H2, MSR1 MMP2 1876/4885MMP9 2314/4885NFKB1 1073/4885

“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.