SCHEMBL5020848

SCHEMBL5020848

Cc1cc[n+](CC(=O)O)c2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.73
KDM4E B2RXH2 8/20 0.70
POLB P06746 1/20 0.70
KMT2A Q03164 6/20 0.57
MAPT P10636 4/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.43
MEN1 O00255 5/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
ALPG P10696 1/20 0.40
NPC1 O15118 1/20 0.40
APOBEC3A P31941 2/20 0.39
APOBEC3G Q9HC16 2/20 0.39
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
Bromide SCHEMBL18496999 0.98 RECQL (0.76) RECQLKDM4EPOLBKMT2AMAPT
Hydrochloric Acid SCHEMBL11210593 0.98 RECQL (0.71) RECQLKDM4EPOLBKMT2AMAPT
SCHEMBL16663886 0.87 RECQL (0.69) RECQLKDM4EPOLBKMT2AMAPT
Bromide SCHEMBL5257266 0.84 RECQL (1.00) RECQLKDM4EPOLBKMT2AMAPT
Hydrochloric Acid SCHEMBL11598725 0.84 RECQL (0.65) RECQLKDM4EPOLBKMT2AMAPT
SCHEMBL8022993 0.84 KDM4E (0.97) RECQLKDM4EPOLBKMT2AMAPT
Bromide SCHEMBL8512189 0.83 KDM4E (1.00) RECQLKDM4EPOLBKMT2AMAPT
Iodide SCHEMBL29210094 0.83 KDM4E (0.94) RECQLKDM4EPOLBKMT2AMAPT
SCHEMBL16663888 0.83 RECQL (0.63) RECQLKDM4EPOLBKMT2AMAPT
Butyric Acid SCHEMBL1362446 0.81 KDM4E (0.72) RECQLKDM4EPOLBKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9865823-B2 Quinolinium dyes with fluorinated counter anion for dye sensitized solar cells BASF SE (DE) 2018-01-09 US disclosed
US-9670476-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2017-06-06 US disclosed
US-20160237421-A9 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2016-08-18 US disclosed
US-20160155575-A1 METHINE DYES WITH LARGE ORGANIC COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2016-06-02 US disclosed
US-20150108415-A1 QUINOLINIUM DYES WITH FLUORINATED COUNTER ANION FOR DYE SENSITIZED SOLAR CELLS BASF SE (DE) 2015-04-23 US disclosed
US-20140273151-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2014-09-18 US disclosed
US-8778627-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2014-07-15 US disclosed
US-8586325-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2013-11-19 US disclosed
US-20130236888-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2013-09-12 US disclosed
US-20120115129-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2012-05-10 US disclosed
US-8092784-B2 Enzyme substrate comprising a functional dye and associated technology and methods BIOTIUM, INC. (US) 2012-01-10 US disclosed
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2011-09-22 US disclosed
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2011-09-22 US disclosed
WO-2009109499-A1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2009-09-11 WO disclosed
US-20090148386-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. 2009-06-11 US disclosed
WO-2007100392-A2 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS BIOTIUM, INC. (US) 2007-09-07 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-20130236888-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS ENGASE, GBA3, HSD17B14 RECQL 1534/4885KDM4E 2980/4885POLB 1621/4885
US-20120115129-A1 ENZYME SUBSTRATE COMPRISING A FUNCTIONAL DYE AND ASSOCIATED TECHNOLOGY AND METHODS ENGASE, GBA3, HSD17B14 RECQL 1534/4885KDM4E 2980/4885POLB 1621/4885
US-20110229980-A1 OLIGONUCLEOTIDE PROBE AND USE THEREOF DCLRE1B, NSUN2, MTX2 RECQL 423/4885KDM4E 3742/4885POLB 668/4885

“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.