SCHEMBL3707572

SCHEMBL3707572

CCOC(=O)CC(=O)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
TSHR P16473 2/20 0.73
POLB P06746 2/20 0.73
ALDH1A1 P00352 4/20 0.71
RAB9A P51151 4/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
RECQL P46063 1/20 0.57
GLA P06280 1/20 0.54
ALOX15 P16050 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 2/20 0.49
FKBP1A P62942 1/20 0.49
HTT P42858 1/20 0.49
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL18607640 0.90 LMNA (0.59) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL7275713 0.83 GLA (0.69) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL11191041 0.83 ALOX15 (0.56) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL2419143 0.83 TSHR (0.59) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL14930159 0.83 LMNA (0.59) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL9527006 0.81 ALOX15 (0.54) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL11191103 0.81 ALOX15 (0.54) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL9643771 0.80 TSHR (0.65) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL5203267 0.80 ALOX15 (0.53) LMNATSHRPOLBALDH1A1RAB9A
SCHEMBL12496081 0.80 ALOX15 (0.53) LMNATSHRPOLBALDH1A1RAB9A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9090538-B2 Uses of esteramide compounds RHODIA OPERATIONS (FR) 2015-07-28 US disclosed
US-9056817-B2 Arylated β-dicarbonyl compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-16 US disclosed
US-9056817-B2 Arylated β-dicarbonyl compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2015-06-16 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-08-14 US disclosed
EP-2637669-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
US-20130210933-A1 NOVEL USES OF ESTERAMIDE COMPOUNDS RHODIA OPERATIONS (FR) 2013-08-15 US disclosed
US-20120189492-A1 FULLERENE COMPOSITIONS AND METHODS FOR PHOTOCHEMICAL PURIFICATION WILLIAM MARSH RICE UNIVERSITY (US) 2012-07-26 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-4407797-A ANTIULCER AGENT RHONE-POULENC SANTE (FR) 1983-10-04 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 (5 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-20130210933-A1 NOVEL USES OF ESTERAMIDE COMPOUNDS CECR2, CES2, ERLIN2 LMNA 1804/4885TSHR 885/4885POLB 3045/4885
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 1475/4885TSHR 4224/4885POLB 1743/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LMNA 1475/4885TSHR 4224/4885POLB 1743/4885
US-20140228592-A1 ARYLATED BETA-DICARBONYL COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF CYP51A1, DDT, CYP3A4 LMNA 2589/4885TSHR 4210/4885POLB 1487/4885
US-20120189492-A1 FULLERENE COMPOSITIONS AND METHODS FOR PHOTOCHEMICAL PURIFICATION DNMT1, ALKBH2, ALKBH1 LMNA 2799/4885TSHR 3164/4885POLB 406/4885

“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.