SCHEMBL1255952

SCHEMBL1255952

CC(CCCO)CCCC(CCO)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.40
CACNA2D1 P54289 2/20 0.36
CACNB3 P54284 1/20 0.36
CACNA1C Q13936 1/20 0.36
PGR P06401 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CACNA2D2 Q9NY47 1/20 0.36
ACE2 Q9BYF1 1/20 0.34
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 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
SCHEMBL6155785 0.88 CAMK2A (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL10478922 0.84 CAMK2A (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6694390 0.82 BLM (0.35) BLMCACNA2D1CACNB3CACNA1CPGR
SCHEMBL18704287 0.80 BHMT (0.44) BLMACE2CAMK2AGPR84BHMT
SCHEMBL28674069 0.80 GPR84 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL426173 0.80 BHMT (0.44) BLMACE2CAMK2AGPR84BHMT
SCHEMBL9460828 0.80 BHMT (0.44) BLMACE2CAMK2AGPR84BHMT
SCHEMBL692357 0.79 SLC22A6 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL28834415 0.79 GPR84 (0.47) LMNAGPR84FFAR1FFAR4
SCHEMBL3930995 0.79 GPR84 (0.47) ADRA1ALMNAGPR84FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295409-B1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2014-07-02 EP disclosed
EP-2116244-B1 Method of treating atherosclerosis, dyslipidemias and related conditions SCHERING CORP (US) 2012-08-08 EP disclosed
EP-2045241-B1 Fluoro substituted cycloalkanoindoles and their use as prostaglandin D2 receptor antagonists MERCK CANADA INC (CA) 2012-07-04 EP disclosed
US-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2012-05-10 US disclosed
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS CHENG KANG 2011-05-19 US disclosed
EP-2295409-A1 Fluoro substituted cycloalkanoindoles and their use as prostaglandin D2 receptor antagonists Merck Frosst Canada Limited (CA) 2011-03-16 EP disclosed
EP-2286816-A1 Method of treating atherosclerosis, dyslipidemias and related conditions MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-02-23 EP disclosed
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT BERTHELETTE CARL 2010-04-01 US disclosed
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions CHENG KANG 2010-03-25 US disclosed
US-7618994-B2 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment MERCK FROSST CANADA LTD. (CA) 2009-11-17 US disclosed
WO-2006052555-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2006-05-18 WO disclosed
US-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment BERTHELETTE CARL 2006-03-30 US disclosed
WO-2006026273-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS MERCK & CO., INC. (US) 2006-03-09 WO disclosed
EP-1624871-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS Merck & Co., Inc. (a New Jersey corp.) (US) 2006-02-15 EP disclosed
US-20050124680-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment MERCK CANADA INC. (CA) 2005-06-09 US disclosed
WO-2004103370-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS AND PHARMACEUTICAL COMPOSITIONS MERCK & CO., INC. (US) 2004-12-02 WO disclosed
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions CHENG KANG (US) 2004-11-18 US disclosed
EP-1470107-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Merck Frosst Canada & Co. (CA) 2004-10-27 EP disclosed
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. MERCK FROSST CANADA & CO. (CA) 2003-08-21 US disclosed
WO-2003062200-A2 FLUORO SUBSTITUTED CYCLOALKANOINDOLES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA & CO. (CA) 2003-07-31 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 (8 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-20060069148-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 BLM 1445/4885CACNA2D1 4798/4885CACNB3 2464/4885
US-20120115921-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT PTGER1, PTGER3, PTGER2 BLM 1445/4885CACNA2D1 4798/4885CACNB3 2464/4885
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. PTGES, PTGIR, PTGER1 BLM 3320/4885CACNA2D1 4858/4885CACNB3 3915/4885
US-20050124680-A1 Fluoro substituted cycloalkanoindoles, compositions containing such compounds and methods of treatment PTGER1, PTGER3, PTGER2 BLM 1445/4885CACNA2D1 4798/4885CACNB3 2464/4885
US-20100076002-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions and Pharmaceutical Compositions LDLR, LPAR5, FFAR1 BLM 4086/4885CACNA2D1 1530/4885CACNB3 689/4885
US-20100081696-A1 FLUORO SUBSTITUTED CYCLOALKANOINDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT PTGER1, PTGER3, PTGER2 BLM 1445/4885CACNA2D1 4798/4885CACNB3 2464/4885
US-20110118292-A1 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS LDLR, HCAR1, FFAR1 BLM 3947/4885CACNA2D1 1736/4885CACNB3 584/4885
US-20040229844-A1 Method of treating atherosclerosis, dyslipidemias and related conditions LDLR, HCAR1, FFAR1 BLM 3947/4885CACNA2D1 1736/4885CACNB3 584/4885

“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.