SCHEMBL12352000

SCHEMBL12352000

CCCCCCCCCCCCCCCCc1nc(N(C)C)nc(C)c1OCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
CACNA2D1 P54289 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR5A1 Q13285 1/20 0.31
CYP3A4 P08684 2/20 0.31
DNM2 P50570 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL12351970 0.93 THRA (0.32) THRATHRBLMNASMN1; SMN2HIF1A
SCHEMBL12351996 0.92 LMNA (0.33) THRATHRBLMNASMN1; SMN2CYP3A4
SCHEMBL12352015 0.85 LMNA (0.37) THRATHRBLMNASMN1; SMN2HIF1A
SCHEMBL2238440 0.82 BCHE (0.41) KCNH2SMN1; SMN2HTT
SCHEMBL12352102 0.79 DHFR (0.46) DHFR
SCHEMBL20458743 0.79 KCNH2 (0.34) THRBKCNH2LMNADNM2MEN1
SCHEMBL2236713 0.76 TYR (0.35) THRBKCNH2LMNAHIF1ACYP3A4
SCHEMBL2235262 0.76 TYR (0.35) THRBKCNH2LMNAHIF1ACYP3A4
SCHEMBL15305976 0.76 TYR (0.35) THRBKCNH2LMNAHIF1ACYP3A4
SCHEMBL2232923 0.74 TYR (0.33) THRBKCNH2LMNAHIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 THRA 4005/4885THRB 3201/4885CACNA2D1 4448/4885

“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.