SCHEMBL4094838

SCHEMBL4094838

CCOCC(C)COCC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL172047 0.88
SCHEMBL13939091 0.87
SCHEMBL11925999 0.87
SCHEMBL2037327 0.87
SCHEMBL13369007 0.84
SCHEMBL13896143 0.82
SCHEMBL3313087 0.82
SCHEMBL90183 0.82 ALDH1A1 (0.30) LMNAALDH1A1
SCHEMBL2255816 0.82
SCHEMBL1878541 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719799-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP claimed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
WO-2016044626-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-9187394-B2 Method for synthesizing 2,7-dimethyl-2,4,6-octatriene-1,8-dialdehyde NANJING UNIVERSITY OF TECHNOLOGY (CN) 2015-11-17 US disclosed
US-9187394-B2 Method for synthesizing 2,7-dimethyl-2,4,6-octatriene-1,8-dialdehyde NANJING UNIVERSITY OF TECHNOLOGY (CN) 2015-11-17 US disclosed
US-20150299125-A1 PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-22 US disclosed
US-20140378711-A1 METHOD FOR SYNTHESIZING 2,7-DIMETHYL-2,4,6-OCTATRIENE-1,8-DIALDEHYDE NANJING UNIVERSITY OF TECHNOLOGY (CN) 2014-12-25 US disclosed
US-20140378711-A1 METHOD FOR SYNTHESIZING 2,7-DIMETHYL-2,4,6-OCTATRIENE-1,8-DIALDEHYDE NANJING UNIVERSITY OF TECHNOLOGY (CN) 2014-12-25 US disclosed
EP-2799420-A1 METHOD FOR SYNTHESIZING 2,7-DIMETHYL-2,4,6-OCTATRIENE-1,8-DIALDEHYDE Nanjing University Of Technology (CN) 2014-11-05 EP disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
EP-2029598-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS Astra Zeneca AB (SE) 2009-03-04 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO disclosed
WO-2007142576-A1 2-THIOXANTHINE DERIVATIVES ACTING AS MPO-INHIBITORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
EP-1824855-A1 NOVEL PYRROLO [3, 2-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2007-08-29 EP disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
EP-1228070-B1 HETEROALKYLAMINO-SUBSTITUTED BICYCLIC NITROGEN HETEROCYCLES AS INHIBITORS OF P38 PROTEIN KINASE HOFFMANN LA ROCHE (CH) 2007-02-07 EP disclosed
WO-2006062465-A1 NOVEL PYRROLO [3, 2-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2006-06-15 WO disclosed
EP-0719799-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP 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-20150299125-A1 PRODRUG BIPYRIDYLAMINOPYRIDINES AS SYK INHIBITORS SYK, IRAK1, BTK LMNA 4614/4885HSD17B10 3738/4885ALDH1A1 841/4885
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 LMNA 4687/4885HSD17B10 752/4885ALDH1A1 1468/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO LMNA 2543/4885HSD17B10 1104/4885ALDH1A1 4419/4885
US-20140378711-A1 METHOD FOR SYNTHESIZING 2,7-DIMETHYL-2,4,6-OCTATRIENE-1,8-DIALDEHYDE TMT1A, DIMT1, TET1 LMNA 3731/4885HSD17B10 400/4885ALDH1A1 551/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 LMNA 111/4885HSD17B10 2844/4885ALDH1A1 1923/4885

“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.