SCHEMBL1298596

SCHEMBL1298596

CCC1(CC)c2cc(C)c(C)cc2C(CC)(CC)N1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP2C19 P33261 2/20 0.35
ATM Q13315 1/20 0.35
C5AR1 P21730 1/20 0.35
TP53 P04637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL1297947 0.85 ELANE (0.46) ELANENPSR1LMNAPOLBCYP2C19
SCHEMBL1298539 0.85 SIGMAR1 (0.41) ELANENPSR1MEN1KMT2ATSHR
SCHEMBL1297404 0.82 ELANE (0.38) ELANENPSR1TSHRCYP2C19TP53
SCHEMBL1297880 0.82 ELANE (0.38) ELANENPSR1MEN1KMT2ATSHR
SCHEMBL12104407 0.81 SIGMAR1 (0.40) ELANENPSR1MEN1KMT2ALMNA
SCHEMBL1298065 0.79 ELANE (0.42) ELANENPSR1MEN1KMT2ATSHR
SCHEMBL1297405 0.77 ELANE (0.35) ELANENPSR1CYP2C19
SCHEMBL1297885 0.77 ELANE (0.35) ELANENPSR1KMT2ATSHRLMNA
SCHEMBL3372280 0.76 ELANE (0.37) ELANENPSR1NOTUMTP53
SCHEMBL3372286 0.76 ACP3 (0.38) ELANENPSR1MEN1KMT2ATSHR

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 4 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
EP-2344454-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE Queensland University Of Technology (AU) 2011-07-20 EP disclosed
WO-2010037172-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2010-04-08 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-20110269716-A1 ANTIOXIDANT COMPOUNDS AND METHODS OF THEIR USE NQO1, NFE2L2, GPX4 ELANE 478/4885NPSR1 2259/4885MEN1 4056/4885

“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.