SCHEMBL2300142

SCHEMBL2300142

CCCCCc1nc(-n2c(C)ccc2C)nc(C)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
BCHE P06276 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 2/20 0.35
TLR4 O00206 1/20 0.35
TLR3 O15455 1/20 0.35
TLR5 O60602 1/20 0.35
TLR2 O60603 1/20 0.35
CAMK2B Q13554 1/20 0.35
CAMK2G Q13555 1/20 0.35
CAMK2D Q13557 1/20 0.35
CAMK1 Q14012 1/20 0.35
CAMK4 Q16566 1/20 0.35

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
SCHEMBL2303764 0.99 BCHE (0.39) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL2303798 0.99 BCHE (0.39) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL15306028 0.92 TSHR (0.40) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL2300307 0.88 L3MBTL1 (0.42) TSHRBCHEL3MBTL1ATP4AATP4B
SCHEMBL12352397 0.84 CACNA2D1 (0.39) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL2297897 0.84 L3MBTL1 (0.37) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL2297824 0.84 L3MBTL1 (0.46) TSHRL3MBTL1ATP4AATP4BHTT
SCHEMBL2238610 0.81 DHFR (0.49) TSHRL3MBTL1TLR8TLR7TLR4
SCHEMBL2234948 0.80 DHFR (0.51) TSHRBCHEL3MBTL1TLR8TLR7
SCHEMBL2236745 0.80 DHFR (0.51) TSHRBCHEL3MBTL1TLR8TLR7

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
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-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

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 TSHR 3329/4885PDE4A 788/4885PDE4B 916/4885

“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.