SCHEMBL78588

SCHEMBL78588

NCc1c(O)ccc2c1Oc1cc(O)ccc1C21OC(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.53
MAPT P10636 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMAD3 P84022 1/20 0.50
PRMT1 Q99873 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.41
ALB P02768 1/20 0.40
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
ALOX12 P18054 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1672801 0.93 FTO (0.49) FTOMAPTHPGDMEN1HTT
SCHEMBL499201 0.87 FTO (0.68) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL3996680 0.86 FTO (0.67) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL9650959 0.86 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL29996062 0.84 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL29358729 0.84 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL20095 0.84 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL29838678 0.84 FTO (0.69) FTOMAPTHPGDMEN1HTT
Water SCHEMBL25247555 0.83 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL23158785 0.83 FTO (0.67) FTOMAPTHPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604186-B2 UV excitable fluorescent energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2013-12-10 US disclosed
US-20120196295-A1 UV Excitable Fluorescent Energy Transfer Dyes Life Technologies Corporation (US) 2012-08-02 US disclosed
US-20120172583-A1 Oligonucleotides and Analogs Labeled with Energy Transfer Dyes Life Technologies Corporation (US) 2012-07-05 US disclosed
US-8129529-B2 UV excitable fluorescent energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2012-03-06 US disclosed
US-20110077415-A1 UV Excitable Fluorescent Energy Transfer Dyes Life Technologies Corporation (US) 2011-03-31 US disclosed
US-7888507-B2 UV excitable fluorescent energy transfer dyes APPLIED BIOSYSTEMS, LLC 2011-02-15 US disclosed
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2010-11-04 US disclosed
US-7825237-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-02 US disclosed
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES Life Technologies Corporation (US) 2010-02-04 US disclosed
US-7595162-B2 Methods of labeling polynucleotides with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2009-09-29 US disclosed
US-6335440-B1 NUCLEIC ACID SEQUENCING PE CORPORATION (NY) 2002-01-01 US disclosed
US-20010049109-A1 UV excitable fluorescent energy transfer dyes APPLIED BIOSYSTEMS, LLC 2001-12-06 US disclosed
US-6218124-B1 FORMING DIFFERENT SIZED OLIGONUCLEOTIDES LABELED WITH ENERGY TRANSFER DYE,SEPARATING OLIGONUCLEOTIDES BASED ON SIZE, DETECTING USING ULTRAVIOLET SOURCE; FOR SEQUENCING NUCLEIC ACIDS PE CORPORATION 2001-04-17 US disclosed
WO-2001016369-A2 UV EXCITABLE FLUORESCENT ENERGY TRANSFER DYES PE CORPORATION (NY) (US) 2001-03-08 WO disclosed
EP-0805190-B1 Energy transfer dyes with enhanced fluorescence PERKIN ELMER CORP (US) 1999-12-15 EP disclosed
EP-0940450-A1 Energy transfer dyes with enhanced fluorescence PERKIN-ELMER CORPORATION (US) 1999-09-08 EP disclosed
US-5945526-A DONOR DYE COUPLED TO ACCEPTOR DYES BY NOVEL LINKER WITH AMIDE, CARBOXY ESTER OR CARBON-OXYGEN-SULFUR MOIETY; FOR EFFICIENT TRANSFER OF ENERGY; USED IN NUCLEOTIDE SEQUENCING METHODS PERKIN-ELMER CORPORATION (US) 1999-08-31 US disclosed
US-5863727-A AN ACCEPTOR FLUOROPHORE EFFICIENTLY ABSORBS ENERGY EMISSION OF A LINKED DONOR XANTHENE FLUOROPHORE LABELLING A OLIGONUCLEOTIDE PRIMER; REAGENT FOR SEQUENCING NUCLEIC ACIDS THE PERKIN-ELMER CORPORATION 1999-01-26 US disclosed
US-5800996-A Energy transfer dyes with enchanced fluorescence THE PERKIN ELMER CORPORATION (US) 1998-09-01 US disclosed
EP-0805190-A2 Energy transfer dyes with enhanced fluorescence PERKIN-ELMER CORPORATION (US) 1997-11-05 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 (6 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-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 FTO 446/4885MAPT 3461/4885HPGD 2296/4885
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 FTO 454/4885MAPT 3423/4885HPGD 3645/4885
US-20120196295-A1 UV Excitable Fluorescent Energy Transfer Dyes SLC46A1, SLC43A3, SLC25A4 FTO 707/4885MAPT 513/4885HPGD 164/4885
US-20120172583-A1 Oligonucleotides and Analogs Labeled with Energy Transfer Dyes RBM28, TRDMT1, RPS28 FTO 454/4885MAPT 3423/4885HPGD 3645/4885
US-20010049109-A1 UV excitable fluorescent energy transfer dyes SLC46A1, SLC43A3, SLC25A4 FTO 707/4885MAPT 513/4885HPGD 164/4885
US-20110077415-A1 UV Excitable Fluorescent Energy Transfer Dyes SLC46A1, SLC43A3, SLC25A4 FTO 707/4885MAPT 513/4885HPGD 164/4885

“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.