SCHEMBL712102

SCHEMBL712102

CCOC(=O)CCC(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CHRM1 P11229 1/20 0.40
ADORA1 P30542 1/20 0.40
TRPA1 O75762 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
CPB2 Q96IY4 1/20 0.39

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
SCHEMBL13890084 0.90 L3MBTL1 (0.56) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL10803219 0.86 MGAM (0.44) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL580234 0.86 L3MBTL1 (0.53) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL8719366 0.85 MGAM (0.52) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL9507708 0.84 L3MBTL1 (0.51) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL16876657 0.84 MGAM (0.43) L3MBTL1KMT2APOLBCYP1A2GAA
Ethane SCHEMBL28182021 0.84 MGAM (0.43) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL25405489 0.82 CYP1A2 (0.52) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL2457733 0.82 MGAM (0.41) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL15899556 0.82 ALDH1A1 (0.48) L3MBTL1KMT2APOLBCYP1A2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-14 US disclosed
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-09-14 US disclosed
US-9650384-B2 Substituted pyrimidine compounds and methods of use and manufacture DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-05-16 US disclosed
US-9650384-B2 Substituted pyrimidine compounds and methods of use and manufacture DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2017-05-16 US disclosed
US-9550745-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2017-01-24 US disclosed
US-20160039830-A1 Substituted Pyrimidine Compounds and Methods of Use and Manufacture DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-02-11 US disclosed
US-20160039830-A1 Substituted Pyrimidine Compounds and Methods of Use and Manufacture DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2016-02-11 US disclosed
WO-2016022881-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-02-11 WO disclosed
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES BAYER CROPSCIENCE AG (DE) 2012-12-20 US disclosed
US-8273904-B2 Method for preparing 4-aminobut-2-enolides BAYER CROPSCIENCE AG (DE) 2012-09-25 US disclosed
US-8124806-B2 Contrast agents GE HEALTHCARE AS (NO) 2012-02-28 US disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
EP-1989179-B1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2011-01-26 EP disclosed
US-20100190990-A1 Method for Producing 4-Aminobut-2-Enolides BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
US-20090053142-A1 CONTRAST AGENTS WYNN DUNCAN 2009-02-26 US disclosed
EP-1989179-A1 CONTRAST AGENTS GE Healthcare AS (NO) 2008-11-12 EP disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 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 (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-20090053142-A1 CONTRAST AGENTS IPO4, TPO, IPO11 L3MBTL1 3568/4885KMT2A 3770/4885POLB 2876/4885
US-20170260190-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DHFR, FOLR1, DPYD L3MBTL1 3712/4885KMT2A 1754/4885POLB 422/4885
US-20100190990-A1 Method for Producing 4-Aminobut-2-Enolides TUBB4B, UGT2B7, TUBB4A L3MBTL1 4232/4885KMT2A 2123/4885POLB 248/4885
US-20120323023-A1 METHOD FOR PREPARING 4-AMINOBUT-2-ENOLIDES UGT2B7, TUBB4B, CYP1B1 L3MBTL1 4471/4885KMT2A 2274/4885POLB 180/4885
US-20160039830-A1 Substituted Pyrimidine Compounds and Methods of Use and Manufacture DHFR, FOLR1, DPYD L3MBTL1 3712/4885KMT2A 1754/4885POLB 422/4885

“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.