SCHEMBL16558604

SCHEMBL16558604

COC(=O)C(C(=O)/C=C/c1cccc(CO)c1O)C(=O)/C=C/c1cccc(OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
MAPT P10636 4/20 0.49
APP P05067 1/20 0.49
MMP2 P08253 4/20 0.48
MMP9 P14780 3/20 0.48
MMP13 P45452 3/20 0.48
MMP8 P22894 2/20 0.48
BCHE P06276 1/20 0.47
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
NFE2L2 Q16236 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
TLR2 O60603 1/20 0.44
ERN1 O75460 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL2123263 0.91 BACE1 (0.57) BACE1MAPTAPPMMP2MMP9
SCHEMBL10077701 0.87 PTGER4 (0.47) BACE1MAPTAPPMMP2MMP9
SCHEMBL19960660 0.84 BACE1 (0.54) BACE1MAPTAPPMMP2MMP9
SCHEMBL7724020 0.76 BACE1 (0.82) BACE1MAPTAPPBCHETXNRD1
SCHEMBL7724027 0.76 BACE1 (0.82) BACE1MAPTAPPBCHETXNRD1
SCHEMBL16558605 0.73 MMP2 (0.60) MMP2MMP9MMP13MMP8NFE2L2
SCHEMBL2124592 0.72 MMP2 (0.59) MAPTMMP2MMP9MMP13MMP8
SCHEMBL3687130 0.72 KDM4E (0.66) BACE1MAPTAPPBCHETXNRD1
SCHEMBL3687134 0.72 KDM4E (0.66) BACE1MAPTAPPBCHETXNRD1
SCHEMBL11260285 0.72 KDM4E (0.73) BACE1MAPTAPPBCHETXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675576-B2 Polyenolic zinc-binding agents (pezbins) actively promote inactivation of cancer stem cells and potentiate cytotoxic anti-tumor drug substances THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-06-13 US disclosed
US-20160213638-A1 POLYENOLIC ZINC-BINDING AGENTS (PEZBINS) ACTIVELY PROMOTE INACTIVATION OF CANCER STEM CELLS AND POTENTIATE CYTOTOXIC ANTI-TUMOR DRUG SUBSTANCES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-07-28 US disclosed
US-9220695-B2 Polyenolic zinc-binding agents (pezbins) actively promote inactivation of cancer stem cells and potentiate cytotoxic anti-tumor drug substances THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-12-29 US disclosed
US-9187406-B2 Curcumin analogues as zinc chelators and their uses THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2015-11-17 US disclosed
US-20150150834-A1 POLYENOLIC ZINC-BINDING AGENTS (PEZBINS) ACTIVELY PROMOTE INACTIVATION OF CANCER STEM CELLS AND POTENTIATE CYTOTOXIC ANTI-TUMOR DRUG SUBSTANCES CHEM-MASTER INTERNATIONAL, INC. (US) 2015-06-04 US disclosed
US-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-03-12 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 (3 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-20160213638-A1 POLYENOLIC ZINC-BINDING AGENTS (PEZBINS) ACTIVELY PROMOTE INACTIVATION OF CANCER STEM CELLS AND POTENTIATE CYTOTOXIC ANTI-TUMOR DRUG SUBSTANCES BAZ2B, CEBPZ, BAZ2A BACE1 3979/4885MAPT 4394/4885APP 4374/4885
US-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR ANTXR2, APAF1, LITAF BACE1 1948/4885MAPT 3945/4885APP 569/4885
US-20150150834-A1 POLYENOLIC ZINC-BINDING AGENTS (PEZBINS) ACTIVELY PROMOTE INACTIVATION OF CANCER STEM CELLS AND POTENTIATE CYTOTOXIC ANTI-TUMOR DRUG SUBSTANCES BAZ2B, CEBPZ, BAZ2A BACE1 3979/4885MAPT 4394/4885APP 4374/4885

“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.