SCHEMBL2690835

SCHEMBL2690835

CC(=O)CC1CC=CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 6/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.33
SCN9A Q15858 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
PARP1 P09874 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
SCHEMBL66706 0.83 KDM4E (0.37) KDM4EALDH1A1PKMTDP1CYP1A2
Acetic Acid SCHEMBL16498836 0.82 KDM4E (0.41) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL22587458 0.81 KDM4E (0.43) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL92858 0.81 KDM4E (0.43) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL11571280 0.80 KDM4E (0.38) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL13288932 0.79 KDM4E (0.39) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL2145456 0.79 KDM4E (0.39) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL11456470 0.79 KDM4E (0.36) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL14044378 0.79 KDM4E (0.42) KDM4EALDH1A1PKMTDP1CYP1A2
SCHEMBL2769747 0.79 BRD4 (0.40) KDM4EALDH1A1PKMTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478355-B1 METHODS FOR DETECTING AUTODIGESTION UNIV CALIFORNIA (US) 2018-11-14 EP claimed
US-20120196935-A1 METHODS FOR DETECTING AUTODIGESTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-02 US claimed
EP-2478355-A1 METHODS FOR DETECTING AUTODIGESTION The Regents of The University of California (US) 2012-07-25 EP claimed
US-20120115177-A1 Compositions and Methods for Diagnosis of Shock ANAZYME, LLC (US) 2012-05-10 US claimed
WO-2011034539-A1 METHODS FOR DETECTING AUTODIGESTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-24 WO claimed
WO-2010087874-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS OF SHOCK ANAZYME, LLC (US) 2010-08-05 WO claimed
US-20210139946-A9 COMPOSITIONS AND METHODS FOR DIAGNOSIS OF SHOCK ANAZYME 2021-05-13 US disclosed
US-20210053997-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2021-02-25 US disclosed
US-20190002952-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS OF SHOCK ANAZYME (US) 2019-01-03 US disclosed
EP-2478355-B1 METHODS FOR DETECTING AUTODIGESTION UNIV CALIFORNIA (US) 2018-11-14 EP disclosed
US-20120196935-A1 METHODS FOR DETECTING AUTODIGESTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-02 US disclosed
EP-2478355-A1 METHODS FOR DETECTING AUTODIGESTION The Regents of The University of California (US) 2012-07-25 EP disclosed
US-20120115177-A1 Compositions and Methods for Diagnosis of Shock ANAZYME, LLC (US) 2012-05-10 US disclosed
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP disclosed
EP-2364984-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-14 EP disclosed
WO-2011034539-A1 METHODS FOR DETECTING AUTODIGESTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-03-24 WO disclosed
WO-2010087874-A1 COMPOSITIONS AND METHODS FOR DIAGNOSIS OF SHOCK ANAZYME, LLC (US) 2010-08-05 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 (2 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-20210053997-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 KDM4E 1512/4885ALDH1A1 2254/4885PKM 3635/4885
US-20120196935-A1 METHODS FOR DETECTING AUTODIGESTION ELANE, PGA5, CD63 KDM4E 4391/4885ALDH1A1 2531/4885PKM 3711/4885

“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.