SCHEMBL2233940

SCHEMBL2233940

Cc1cc(N)nc(CCCCCCCCCCO)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
NOS2 P35228 6/20 0.34
NOS3 P29474 4/20 0.33
NOS1 P29475 4/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32

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
SCHEMBL15306000 0.79 KDM4E (0.42) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL2301497 0.78 BCHE (0.34)
SCHEMBL2233934 0.78 TNKS2 (0.36) LMNAMAPTHTT
SCHEMBL2234087 0.73 TLR8 (0.46) ALDH1A1TLR8TLR7LTB4R
SCHEMBL12352091 0.70 EGLN1 (0.33) LMNAALDH1A1MAPTTSHRHTT
SCHEMBL13193728 0.70 NOS2 (0.68) NOS2NOS3NOS1
SCHEMBL2410617 0.70 PTGS2 (0.48) NPC1HTTRAB9A
SCHEMBL12761147 0.70 PTGS2 (0.48) NPC1HTTRAB9A
SCHEMBL24363659 0.68 PTGS2 (0.43)
SCHEMBL2413026 0.67 PTGS2 (0.50) NPC1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536690-B1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE UNIV ARIZONA (US) 2018-08-08 EP disclosed
EP-2536690-B1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE UNIV ARIZONA (US) 2018-08-08 EP disclosed
US-8952025-B2 Multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-10 US disclosed
US-8952025-B2 Multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-10 US disclosed
US-8952025-B2 Multifunctional radical quenchers and their uses ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-02-10 US disclosed
US-20130267546-A1 Multifunctional Radical Quenchers and Their Uses Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) 2013-10-10 US disclosed
US-20130267546-A1 Multifunctional Radical Quenchers and Their Uses Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) 2013-10-10 US disclosed
US-20130267546-A1 Multifunctional Radical Quenchers and Their Uses Arizona Board of Regents, a body corporate of the State of Arizona acting for and on behalf of Ari (US) 2013-10-10 US disclosed
EP-2536690-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE Arizona Board Of Regents (US) 2012-12-26 EP disclosed
WO-2011103536-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE ARIZONA BOARD OF REGENTS (US) 2011-08-25 WO disclosed
WO-2011103536-A1 MULTIFUNCTIONAL RADICAL QUENCHERS AND THEIR USE ARIZONA BOARD OF REGENTS (US) 2011-08-25 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-20130267546-A1 Multifunctional Radical Quenchers and Their Uses SQOR, GSR, GPX4 KDM4E 3008/4885LMNA 1653/4885GAA 337/4885

“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.