SCHEMBL10077674

SCHEMBL10077674

CNCc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(C)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 6/20 0.72
▸ MMP9 P14780 4/20 0.71
▸ MMP8 P22894 1/20 0.61
▸ AKR1B1 P15121 3/20 0.51
▸ MAOB P27338 3/20 0.51
▸ APP P05067 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ ABCB1 P08183 2/20 0.51
▸ MAOA P21397 2/20 0.51
▸ TOP2A P11388 2/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ GLO1 Q04760 2/20 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
SCHEMBL8965107 0.87 BACE1 (0.88) BACE1MMP9MMP8AKR1B1MAOB
SCHEMBL8965104 0.87 BACE1 (0.88) BACE1MMP9MMP8AKR1B1MAOB
SCHEMBL3218771 0.84 BACE1 (1.00) BACE1MMP9AKR1B1MAOBAPP
SCHEMBL3218761 0.84 BACE1 (1.00) BACE1MMP9AKR1B1MAOBAPP
SCHEMBL10077707 0.83 MMP9 (1.00) BACE1MMP9MMP8AKR1B1MAOB
SCHEMBL10077678 0.83 MMP8 (0.71) BACE1MMP9MMP8AKR1B1MAOB
SCHEMBL14303722 0.78 BACE1 (0.72) BACE1MMP9AKR1B1MAOBAPP
SCHEMBL12402527 0.78 BACE1 (0.72) BACE1MMP9MMP8AKR1B1MAOB
SCHEMBL3216555 0.77 APP (0.86) BACE1MMP9MMP8AKR1B1MAOB
SCHEMBL3216545 0.77 APP (0.86) BACE1MMP9MMP8AKR1B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180036262-A1 CHEMICALLY MODIFIED CURCUMINS FOR USE IN THE PRODUCTION OF LIPOXINS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-02-08 — — 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-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-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-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 (5 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-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR ANTXR2, APAF1, LITAF BACE1 1948/4885MMP9 1104/4885MMP8 248/4885
US-20120095051-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 BACE1 77/4885MMP9 12/4885MMP8 18/4885
US-20170158605-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 BACE1 77/4885MMP9 12/4885MMP8 18/4885
US-20160031795-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 BACE1 77/4885MMP9 12/4885MMP8 18/4885
US-20180036262-A1 CHEMICALLY MODIFIED CURCUMINS FOR USE IN THE PRODUCTION OF LIPOXINS ALOX15B, ALOX15, ALOX12 BACE1 3470/4885MMP9 1330/4885MMP8 316/4885

“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.

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