SCHEMBL10077705

SCHEMBL10077705

CNCc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 1.00
MMP13 P45452 1/20 0.62
HDAC1 Q13547 4/20 0.57
HDAC4 P56524 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
MMP9 P14780 2/20 0.57
HDAC3 O15379 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
HSD17B3 P37058 1/20 0.57
BACE1 P56817 3/20 0.51
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
MAOB P27338 2/20 0.47

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
SCHEMBL12261585 0.91 MMP8 (0.84) MMP8MMP13HDAC1HDAC4HDAC6
SCHEMBL5598935 0.87 MMP8 (0.77) MMP8HDAC1HDAC4HDAC6MMP9
SCHEMBL5598938 0.87 MMP8 (0.77) MMP8HDAC1HDAC4HDAC6MMP9
SCHEMBL10061363 0.85 MMP8 (0.74) MMP8MMP13HDAC1HDAC4HDAC6
SCHEMBL10077678 0.83 MMP8 (0.71) MMP8MMP13HDAC1MMP9HDAC3
SCHEMBL16558599 0.82 MMP8 (0.69) MMP8MMP13HDAC1HDAC4HDAC6
SCHEMBL24687567 0.81 HSD17B3 (0.69) MMP8HDAC1HDAC4HDAC6MMP9
SCHEMBL3222733 0.81 MAOB (0.73) MMP8HDAC1HDAC4HDAC6MMP9
SCHEMBL3222739 0.81 MAOB (0.73) MMP8HDAC1HDAC4HDAC6MMP9
SCHEMBL10061352 0.81 MMP8 (0.67) MMP8MMP13HDAC1HDAC4HDAC6

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 10 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-20170158605-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2017-06-08 US disclosed
US-9556105-B2 Curcumin analogues as zinc chelators and their uses THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2017-01-31 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-20160031795-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2016-02-04 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
US-20120095051-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES CHEM-MASTER INTERNATIONAL, INC. 2012-04-19 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 (6 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 MMP8 3046/4885MMP13 886/4885HDAC1 82/4885
US-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR ANTXR2, APAF1, LITAF MMP8 248/4885MMP13 928/4885HDAC1 406/4885
US-20120095051-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 MMP8 18/4885MMP13 11/4885HDAC1 134/4885
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 MMP8 3046/4885MMP13 886/4885HDAC1 82/4885
US-20170158605-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 MMP8 18/4885MMP13 11/4885HDAC1 134/4885
US-20160031795-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 MMP8 18/4885MMP13 11/4885HDAC1 134/4885

“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.