SCHEMBL5598935

SCHEMBL5598935

CN(C)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.77
HSD17B3 P37058 1/20 0.72
MMP9 P14780 1/20 0.67
BACE1 P56817 3/20 0.61
MAOB P27338 4/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC11 Q96DB2 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC9 Q9UKV0 2/20 0.60
HDAC5 Q9UQL6 2/20 0.60
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 1/20 0.60
PTGS2 P35354 1/20 0.60
GLO1 Q04760 1/20 0.60

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
SCHEMBL5598938 1.00 MMP8 (0.77) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL3222739 0.93 MAOB (0.73) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL3222733 0.93 MAOB (0.73) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL24687567 0.93 HSD17B3 (0.69) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL11741168 0.90 MMP9 (0.65) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL24687571 0.90 MMP8 (0.65) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL11142134 0.89 HSD17B3 (0.68) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL11142130 0.89 HSD17B3 (0.68) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL10077705 0.87 MMP8 (1.00) MMP8HSD17B3MMP9BACE1MAOB
SCHEMBL6228550 0.87 MMP8 (0.62) MMP8HSD17B3MMP9BACE1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265041-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND TEHIR USES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-24 US disclosed
US-11714354-B2 Lithographic printing plate precursor and method of use EASTMAN KODAK COMPANY (US) 2023-08-01 US disclosed
US-11714354-B2 Lithographic printing plate precursor and method of use EASTMAN KODAK COMPANY (US) 2023-08-01 US disclosed
US-20210302834-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF USE BANK OF AMERICA, N.A., AS AGENT 2021-09-30 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-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC UNM (US) 2016-02-11 US disclosed
US-9187397-B2 Therapeutic curcumin derivatives STC.UNM (US) 2015-11-17 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-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES STC.UNM 2015-01-08 US disclosed
US-8841326-B2 Therapeutic curcumin derivatives STC.UNM (US) 2014-09-23 US disclosed
US-20070060644-A1 Therapeutic curcumin derivatives STC.UNM 2007-03-15 US disclosed
US-20060276536-A1 Cancer treatment using curcumin derivatives STC.UNM 2006-12-07 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 (7 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 3046/4885HSD17B3 1823/4885MMP9 1634/4885
US-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR ANTXR2, APAF1, LITAF MMP8 248/4885HSD17B3 4752/4885MMP9 1104/4885
US-20230265041-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND TEHIR USES NFRKB, NFKBIA, NFKB1 MMP8 34/4885HSD17B3 3358/4885MMP9 17/4885
US-20160039734-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 MMP8 221/4885HSD17B3 1637/4885MMP9 1372/4885
US-20070060644-A1 Therapeutic curcumin derivatives FABP2, GLS2, FABP1 MMP8 221/4885HSD17B3 1637/4885MMP9 1372/4885
US-20150011494-A1 THERAPEUTIC CURCUMIN DERIVATIVES FABP2, GLS2, FABP1 MMP8 221/4885HSD17B3 1637/4885MMP9 1372/4885
US-20060276536-A1 Cancer treatment using curcumin derivatives BRCA1, VHL, TP53 MMP8 710/4885HSD17B3 881/4885MMP9 922/4885

“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.