SCHEMBL2014912

SCHEMBL2014912

CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccco1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 12/20 1.00
ALDH1A1 P00352 12/20 1.00
PKM P14618 11/20 1.00
LMNA P02545 11/20 1.00
L3MBTL1 Q9Y468 10/20 1.00
HSD17B10 Q99714 7/20 1.00
TSHR P16473 7/20 1.00
TDP1 Q9NUW8 7/20 1.00
NPSR1 Q6W5P4 7/20 1.00
ESR1 P03372 5/20 1.00
RECQL P46063 4/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
HTT P42858 3/20 1.00
ALOX15 P16050 2/20 1.00
MCL1 Q07820 1/20 1.00
SMN1; SMN2 Q16637 12/20 0.82
GAA P10253 1/20 0.82
RAB9A P51151 1/20 0.82
CREBBP Q92793 1/20 0.82

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
SCHEMBL2016219 0.93 SMN1; SMN2 (0.87) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2017482 0.92 POLB (0.85) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2016888 0.91 POLB (0.84) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2015769 0.90 SMN1; SMN2 (1.00) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2015501 0.90 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2019581 0.90 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2014615 0.89 SMN1; SMN2 (0.98) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2017060 0.89 SMN1; SMN2 (0.81) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2016416 0.89 POLB (0.80) POLBALDH1A1PKMLMNAL3MBTL1
SCHEMBL2016203 0.89 POLB (1.00) POLBALDH1A1PKMLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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
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 POLB 3043/4885ALDH1A1 855/4885PKM 1956/4885
US-20140329863-A1 NOVEL ANTIPRION COMPOUNDS PRNP, PSEN1, PSEN2 POLB 2742/4885ALDH1A1 3306/4885PKM 1687/4885
US-20160166553-A1 ANTIMETASTATIC COMPOUNDS MET, HGFAC, HGF POLB 3043/4885ALDH1A1 855/4885PKM 1956/4885

“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.