SCHEMBL1668484

SCHEMBL1668484

CCOC(=O)COc1ccc(CN)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 2/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.50
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
TBXAS1 P24557 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX2 P34913 1/20 0.48
PTPN1 P18031 1/20 0.48

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
Hydrochloric Acid SCHEMBL11371198 0.98 GAA (0.60) GAANPSR1KDM4EHSD17B10MAPT
SCHEMBL8554090 0.87 GAA (0.59) GAANPSR1KDM4EHSD17B10MAPT
SCHEMBL5202817 0.86 GAA (0.66) GAANPSR1KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL6981890 0.86 GAA (0.57) GAANPSR1KDM4EHSD17B10MAPT
SCHEMBL1668770 0.85 EPHX2 (0.57) GAANPSR1MAPTPPARGPPARA
SCHEMBL8321862 0.85 GAA (0.64) GAANPSR1KDM4EHSD17B10MAPT
SCHEMBL12406953 0.84 PPARA (0.67) GAANPSR1KDM4EHSD17B10PPARG
SCHEMBL9772783 0.84 GAA (0.56) GAANPSR1KDM4EHSD17B10MAPT
SCHEMBL11815554 0.84 GAA (0.72) GAANPSR1KDM4EHSD17B10MAPT
SCHEMBL13141075 0.84 GAA (0.59) GAANPSR1KDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 US disclosed
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc (KR) 2010-02-25 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 (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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS GAA 2478/4885NPSR1 1573/4885KDM4E 4500/4885
US-20100048570-A1 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF DPP4, DPP3, DPP7 GAA 300/4885NPSR1 2338/4885KDM4E 1473/4885

“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.