SCHEMBL16484881

SCHEMBL16484881

CCCCCCCCCCCCCC1=C(O)C(=O)C=C(N(C)C)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.68
MPEG1 Q2M385 11/20 0.68
XIAP P98170 2/20 0.68
GPR84 Q9NQS5 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
PTGES O14684 1/20 0.68
USP2 O75604 1/20 0.68
ALDH1A1 P00352 1/20 0.68
TP53 P04637 1/20 0.68
CYP2D6 P10635 1/20 0.68
MAPT P10636 1/20 0.68
CYP2C9 P11712 1/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
ALOX12 P18054 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
KMT2A Q03164 1/20 0.68
KAT2B Q92831 1/20 0.68

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
SCHEMBL20097543 0.84 ALOX5 (0.47) ALOX5MPEG1XIAPGPR84KDM4E
Embelin SCHEMBL148744 0.81 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL12757276 0.81 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84KDM4E
Rapanone SCHEMBL2311835 0.81 ALOX5 (1.00) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL16465465 0.81 ALOX5 (0.54) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL17123718 0.80 ALOX5 (0.73) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL16465426 0.79 ALOX5 (0.68) ALOX5MPEG1
SCHEMBL6410428 0.79 ALOX5 (0.97) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL16465486 0.78 ALOX5 (0.51) ALOX5MPEG1XIAPGPR84KDM4E
SCHEMBL16466025 0.77 ALOX5 (0.64) ALOX5MPEG1XIAPGPR84KDM4E

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-9957214-B2 Multifunctional radical quenchers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-9957214-B2 Multifunctional radical quenchers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-9957214-B2 Multifunctional radical quenchers ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-01 US disclosed
US-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-10-01 US disclosed
WO-2014059158-A1 MULTIFUNCTIONAL RADICAL QUENCHERS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AN ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2014-04-17 WO 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-20150274628-A1 MULTIFUNCTIONAL RADICAL QUENCHERS SQOR, UQCRC1, PRDX5 ALOX5 779/4885MPEG1 2716/4885XIAP 914/4885

“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.