SCHEMBL1298539

SCHEMBL1298539

CCC1(CC)c2ccc(C)cc2C(CC)(CC)N1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
ELANE P08246 1/20 0.38
MIF P14174 3/20 0.38
CD74 P04233 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RGS4 P49798 1/20 0.35
KMT2A Q03164 3/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL1298596 0.85 ELANE (0.41) SIGMAR1LMNAPOLBELANENPSR1
SCHEMBL1297947 0.85 ELANE (0.46) SIGMAR1LMNAPOLBELANENPSR1
SCHEMBL12104407 0.83 SIGMAR1 (0.40) SIGMAR1LMNAELANENPSR1KMT2A
SCHEMBL1297885 0.80 ELANE (0.35) LMNAELANENPSR1KMT2AKDM4E
SCHEMBL1297405 0.80 ELANE (0.35) ELANEMIFNPSR1
SCHEMBL1297880 0.78 ELANE (0.38) LMNAPOLBELANENPSR1KMT2A
SCHEMBL1297404 0.78 ELANE (0.38) SIGMAR1ELANENPSR1ALDH1A1GAA
SCHEMBL11716546 0.76 SIGMAR1 (0.38) SIGMAR1LMNAPOLBELANEMIF
SCHEMBL1297407 0.75 LMNA (0.34) SIGMAR1LMNAPOLBELANENPSR1
SCHEMBL1324865 0.73 LMNA (0.34) LMNAPOLBELANEKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 US disclosed
US-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2011-11-03 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 (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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 SIGMAR1 1670/4885LMNA 1217/4885POLB 420/4885

“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.