SCHEMBL2016019

SCHEMBL2016019

CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.80
HTT P42858 2/20 0.80
NPSR1 Q6W5P4 2/20 0.80
POLB P06746 4/20 0.80
KMT2A Q03164 2/20 0.79
RAB9A P51151 1/20 0.79
TP53 P04637 7/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
ALDH1A1 P00352 3/20 0.77
TDP1 Q9NUW8 2/20 0.77
MAPT P10636 2/20 0.77
MAPK1 P28482 1/20 0.77
ALOX15 P16050 2/20 0.74
TSHR P16473 2/20 0.74
HSD17B10 Q99714 2/20 0.74
MEN1 O00255 1/20 0.70
ESR1 P03372 1/20 0.70
PKM P14618 1/20 0.70
RECQL P46063 1/20 0.70
MCL1 Q07820 1/20 0.70

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
SCHEMBL10090689 0.86 POLB (0.83) LMNAHTTNPSR1POLBKMT2A
SCHEMBL14758473 0.84 SMN1; SMN2 (0.79) LMNAHTTNPSR1POLBKMT2A
SCHEMBL16217099 0.84 ALOX15 (0.83) LMNAHTTNPSR1POLBKMT2A
SCHEMBL10090761 0.82 SMN1; SMN2 (0.86) LMNAHTTNPSR1POLBKMT2A
SCHEMBL2014912 0.82 POLB (1.00) LMNAHTTNPSR1POLBKMT2A
SCHEMBL10090710 0.76 SMN1; SMN2 (0.76) LMNAHTTNPSR1POLBKMT2A
SCHEMBL2016203 0.76 POLB (1.00) LMNAHTTNPSR1POLBKMT2A
SCHEMBL2016219 0.76 SMN1; SMN2 (0.87) LMNAHTTNPSR1POLBKMT2A
SCHEMBL2017482 0.75 POLB (0.85) LMNAHTTNPSR1POLBKMT2A
SCHEMBL1134732 0.75 LMNA (0.51) LMNAHTTNPSR1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS UNIV BRIGHAM YOUNG (US) 2016-06-16 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-06 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
US-20130158035-A1 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2013-06-20 US disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 WO disclosed
WO-2011073929-A1 6-(2-FURYL)-3-METHYL-4-OXO-1,5,6,7-TETRAHYDROINDOLE-2-CARBOXYLATE DERIVATIVES AND USES THEREOF ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2011-06-23 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 (3 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-20130158035-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF LMNA 3658/4885HTT 4565/4885NPSR1 870/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 LMNA 928/4885HTT 15/4885NPSR1 299/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF LMNA 3658/4885HTT 4565/4885NPSR1 870/4885

“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.