SCHEMBL4567262

SCHEMBL4567262

CC(=O)CCC(=O)OCCCOC(=O)CCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ADRA2A P08913 1/20 0.50
ADRA1A P35348 1/20 0.50
MAPT P10636 2/20 0.48
BLM P54132 1/20 0.48
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.46
LMNA P02545 1/20 0.42
SLC15A2 Q16348 1/20 0.42
NAAA Q02083 1/20 0.41
DNM1 Q05193 1/20 0.38
TSHR P16473 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
CYP1A2 P05177 1/20 0.37
ACHE P22303 1/20 0.36
PAOX Q6QHF9 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4567078 0.95 ALDH1A1 (0.50) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL16020394 0.93 ADRA2A (0.48) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL16020427 0.93 HTR2C (0.53) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL14296732 0.91 ADRA2A (0.43) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL13635974 0.90 ALDH1A1 (0.56) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL18025258 0.89 ADRA2A (0.42) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL4570260 0.89 ADRA2A (0.45) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL118152 0.89 ALDH1A1 (0.58) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL14573478 0.87 ALDH1A1 (0.53) ALDH1A1ADRA2AADRA1AMAPTBLM
SCHEMBL875181 0.87 HTR2C (0.62) ALDH1A1DGKAHTR2CNAAADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872611-B1 GLYCOL DILEVULINATES AS COUPLING AGENTS IN CLEANING FORMULATIONS DOW GLOBAL TECHNOLOGIES LLC (US) 2016-08-10 EP claimed
US-9840607-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof GFBIOCHEMICALS LIMITED (MT) 2017-12-12 US disclosed
US-9840607-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof GFBIOCHEMICALS LIMITED (MT) 2017-12-12 US disclosed
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
US-20160237302-A1 WATERBORNE COMPOSITIONS CALLAGHAN INNOVATION RESEARCH LIMITED (NZ) 2016-08-18 US disclosed
US-20160068660-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF GFBIOCHEMICALS LIMITED (MT) 2016-03-10 US disclosed
US-20160068660-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF GFBIOCHEMICALS LIMITED (MT) 2016-03-10 US disclosed
US-9221741-B2 Ketocarboxylic acids, ketocarboxylic esters, methods of manufacture and uses thereof SEGETIS, INC. (US) 2015-12-29 US disclosed
US-9221741-B2 Ketocarboxylic acids, ketocarboxylic esters, methods of manufacture and uses thereof SEGETIS, INC. (US) 2015-12-29 US disclosed
US-9187598-B2 Polyhydroxy ketal ester adducts, methods of manufacture and uses thereof SEGETIS, INC. (US) 2015-11-17 US disclosed
US-20130296601-A1 KETOCARBOXYLIC ACIDS, KETOCARBOXYLIC ESTERS, METHODS OF MANUFACTURE AND USES THEREOF GFBIOCHEMICALS LIMITED (MT) 2013-11-07 US disclosed
US-8507718-B2 Ketocarboxylic acids, methods of manufacture and uses thereof SEGETIS, INC. (US) 2013-08-13 US disclosed
US-8507718-B2 Ketocarboxylic acids, methods of manufacture and uses thereof SEGETIS, INC. (US) 2013-08-13 US disclosed
WO-2012065116-A2 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-18 WO disclosed
US-20120123147-A1 KETOCARBOXYLIC ACIDS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed
US-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed
US-20120123147-A1 KETOCARBOXYLIC ACIDS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed
US-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF SEGETIS, INC. (US) 2012-05-17 US disclosed
EP-2272820-A1 COMPOUND FUJIFILM Corporation (JP) 2011-01-12 EP disclosed
EP-2267106-A1 COMPOSITION AND METHOD FOR FORMING COATING FILM FUJIFILM Corporation (JP) 2010-12-29 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 (4 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-20160068660-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF ALKBH3, PHYKPL, KYAT1 ALDH1A1 1068/4885ADRA2A 3820/4885ADRA1A 3942/4885
US-20120123147-A1 KETOCARBOXYLIC ACIDS, METHODS OF MANUFACTURE AND USES THEREOF PHYKPL, HACL2, MCCC2 ALDH1A1 1223/4885ADRA2A 4634/4885ADRA1A 4734/4885
US-20120121911-A1 POLYHYDROXY KETAL ESTER ADDUCTS, METHODS OF MANUFACTURE AND USES THEREOF ALKBH3, PHYKPL, KYAT1 ALDH1A1 1068/4885ADRA2A 3820/4885ADRA1A 3942/4885
US-20130296601-A1 KETOCARBOXYLIC ACIDS, KETOCARBOXYLIC ESTERS, METHODS OF MANUFACTURE AND USES THEREOF PHYKPL, HACL2, MCCC2 ALDH1A1 1119/4885ADRA2A 4493/4885ADRA1A 4657/4885

“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.