SCHEMBL2137161

SCHEMBL2137161

CCCCOC(=O)CCCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
DGKA P23743 1/20 0.61
ALDH1A1 P00352 1/20 0.50
NAAA Q02083 1/20 0.50
DNM1 Q05193 1/20 0.50
HTR2C P28335 1/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
ATM Q13315 1/20 0.47
FAAH O00519 1/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PAM P19021 2/20 0.46
EPHX2 P34913 2/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL2139337 0.96 DGKA (0.67) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL5272183 0.94 DGKA (0.70) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL20564125 0.94 DGKA (0.70) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL5269856 0.94 DGKA (0.70) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL2138196 0.94 DGKA (0.57) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL51177 0.91 DGKA (0.71) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL25953980 0.90 DGKA (0.66) TSHRDGKANAAADNM1HTR2C
SCHEMBL27736720 0.90 DGKA (0.70) TSHRDGKANAAADNM1HTR2C
SCHEMBL5271388 0.89 TSHR (0.65) TSHRDGKAALDH1A1NAAADNM1
SCHEMBL11877869 0.88 DGKA (0.74) TSHRDGKAALDH1A1NAAADNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862749-B2 Flame retardant polyurethanes and additives therefor ALBEMARLE CORPORATION (US) 2011-01-04 US disclosed
WO-2010017470-A1 C7-FLUORO SUBSTITUTED TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-02-11 WO disclosed
EP-2107079-A2 Flame retardants with high halogen content and low viscosity Albermarle Corporation (US) 2009-10-07 EP disclosed
CN-100537646-C Flame retardants with high halogen content and low viscosity ALBEMARLE CORP (US) 2009-09-09 CN disclosed
EP-1664179-B1 FLAME RETARDANTS WITH HIGH HALOGEN CONTENT AND LOW VISCOSITY ALBEMARLE CORP (US) 2009-07-15 EP disclosed
US-7381354-B2 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION (US) 2008-06-03 US disclosed
US-20070276055-A1 Flame Retardant Polyurethanes and Additives Therefor ALBEMARLE CORPORATION (US) 2007-11-29 US disclosed
EP-1478232-B1 DIESTER DICARBOXYLATE ANTIMICROBIAL COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC (US) 2007-10-17 EP disclosed
EP-1756224-B1 FLAME RETARDANT POLYURETHANES AND ADDITIVES THEREFOR ALBEMARLE CORP (US) 2007-10-17 EP disclosed
US-20070225517-A1 Flame Retardants With High Halogen Content and Low Viscosity ALBEMARLE CORPORATION (US) 2007-09-27 US disclosed
US-20050045857-A1 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION 2005-03-03 US disclosed
US-20050045858-A1 Flame retardants with high halogen content and low viscosity ALBEMARLE CORPORATION 2005-03-03 US disclosed
EP-1478232-A1 DIESTER DICARBOXYLATE ANTIMICROBIAL COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2004-11-24 EP disclosed
US-6627593-B2 A high concentration monoester peroxy dicarboxylic acid composition comprising: 6 wt-% monoester peroxy dicarboxylic acid; about 10 wt-% diester dicarboxylate; anionic surfactant, amine oxide surfactant, or a mixture thereof; hydrogen ECOLAB INC. 2003-09-30 US disclosed
WO-2003073849-A1 DIESTER DICARBOXYLATE ANTIMICROBIAL COMPOSITIONS AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2003-09-12 WO disclosed
US-20030087786-A1 High concentration monoester peroxy dicarboxylic acid compositions, use solutions, and methods employing them ECOLAB USA INC. 2003-05-08 US disclosed
US-20030021853-A1 In situ mono-or diester dicarboxylate compositions ECOLAB USA INC. 2003-01-30 US disclosed
WO-2003005817-A2 HIGH CONCENTRATION MONOESTER PEROXY DICARBOXYLIC ACID COMPOSITIONS, USE SOLUTIONS, AND METHODS EMPLOYING THEM ECOLAB INC. (US) 2003-01-23 WO disclosed
WO-2003005818-A1 IN SITUMONO-OR DIESTER DICARBOXYLATE COMPOSITIONS ECOLAB INC. (US) 2003-01-23 WO disclosed
US-20020168422-A1 Two solvent antimicrobial compositions and methods employing them ECOLAB USA INC. 2002-11-14 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 (2 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-20030021853-A1 In situ mono-or diester dicarboxylate compositions DDC, HCAR3, ACMSD TSHR 4231/4885DGKA 109/4885ALDH1A1 590/4885
US-20020168422-A1 Two solvent antimicrobial compositions and methods employing them TAS2R50, HDHD5, CEL TSHR 4520/4885DGKA 1221/4885ALDH1A1 2741/4885

“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.