SCHEMBL599852

SCHEMBL599852

C=CC(CCCCC)S([O])(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
FDPS P14324 4/20 0.33
MAPT P10636 2/20 0.33
OPRM1 P35372 1/20 0.33
TRPA1 O75762 1/20 0.33
DDAH1 O94760 1/20 0.33
GAPDH P04406 1/20 0.33
TSHR P16473 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
CA1 P00915 2/20 0.32
FFAR1 O14842 1/20 0.32
LAP3 P28838 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31

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
SCHEMBL2539872 0.85 TP53 (0.41) TP53ADH1BADH1CADH1AADH4
SCHEMBL27471627 0.82 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL859860 0.82 TP53 (0.42) TP53OPRM1CA1LAP3
SCHEMBL1343885 0.82 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL2454623 0.82 TP53 (0.47) TP53ADH1BADH1CADH1AADH4
SCHEMBL2547722 0.82 TP53 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL11881434 0.80 NR1I2 (0.38) TP53ADH1BADH1CADH1AADH4
SCHEMBL28007248 0.80 TP53 (0.46) TP53ADH1BADH1CADH1AADH4
SCHEMBL27872723 0.80 TP53 (0.37) TP53ADH1BADH1CADH1AADH4
SCHEMBL27553098 0.80 TP53 (0.37) TP53ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114979-B2 Di-alpha amino anthraquinone compositions INTEGRATED DNA TECHNOLOGIES, INC. (US) 2012-02-14 US disclosed
US-20110060150-A1 METHOD OF DETECTING FLUORESCENCE INTEGRATED DNA TECHNOLOGIES, INC. (US) 2011-03-10 US disclosed
EP-2281798-A1 Anthraquinone quencher dyes, their methods of preparation and use INTEGRATED DNA TECHNOLOGIES, INC. (US) 2011-02-09 EP disclosed
US-7803536-B2 Methods of detecting fluorescence with anthraquinone quencher dyes INTEGRATED DNA TECHNOLOGIES, INC. (US) 2010-09-28 US disclosed
EP-1853616-B1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA-ANOMER ENRICHED 2'-DEOXY,2',2'-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES FRESENIUS KABI ONCOLOGY LTD (IN) 2010-02-24 EP disclosed
EP-1853616-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA-ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES Dabur Pharma Limited (IN) 2007-11-14 EP disclosed
EP-1556325-A4 ANTHRAQUINONE QUENCHER DYES, THEIR METHODS OF PREPARATION AND USE INTEGRATED DNA TECH INC (US) 2007-09-19 EP disclosed
US-20070208170-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES DABUR PHARMA LIMITED 2007-09-06 US disclosed
US-7235647-B2 Intermediate and process for preparing of β- anomer enriched 21-deoxy,21,21-difluoro-D-ribofuranosyl nucleosides DABUR PHARMA LIMITED (IN) 2007-06-26 US disclosed
US-20060217547-A1 Intermediate and process for preparing of beta- anomer enriched 21-deoxy,21,21-difluoro-D-ribofuranosyl nucleosides FRESENIUS KABI ONCOLOGY LIMITED (IN) 2006-09-28 US disclosed
WO-2006092808-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21DEOXY, 21 ,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES DABUR PHARMA LIMITED (IN) 2006-09-08 WO disclosed
EP-1556325-A1 ANTHRAQUINONE QUENCHER DYES, THEIR METHODS OF PREPARATION AND USE Untegrated DNA Technologies, Inc. (US) 2005-07-27 EP disclosed
US-20040110308-A1 Anthraquinone quencher dyes, their methods of preparation and use INTEGRATED DNA TECHNOLOGIES, INC. (US) 2004-06-10 US disclosed
WO-2004026804-A1 ANTHRAQUINONE QUENCHER DYES, THEIR METHODS OF PREPARATION AND USE INTEGRATED DNA TECHNOLOGIES, INC. (US) 2004-04-01 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 (3 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-20070208170-A1 INTERMEDIATE AND PROCESS FOR PREPARING OF BETA- ANOMER ENRICHED 21-DEOXY,21,21-DIFLUORO-D-RIBOFURANOSYL NUCLEOSIDES GART, ST6GAL1, B4GALT1 TP53 1100/4885ADH1B 1359/4885ADH1C 1573/4885
US-20110060150-A1 METHOD OF DETECTING FLUORESCENCE ANXA5, ANTXR2, ANXA4 TP53 307/4885ADH1B 2343/4885ADH1C 4355/4885
US-20060217547-A1 Intermediate and process for preparing of beta- anomer enriched 21-deoxy,21,21-difluoro-D-ribofuranosyl nucleosides GART, ST6GAL1, B4GALT1 TP53 1100/4885ADH1B 1359/4885ADH1C 1573/4885

“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.