SCHEMBL1408684

SCHEMBL1408684

CCc1c(OC)c(CC)c2ccccc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
EP300 Q09472 2/20 0.40
POLB P06746 1/20 0.37
IDO1 P14902 2/20 0.36
KAT8 Q9H7Z6 1/20 0.35
CYP2C19 P33261 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 2/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC2A1 P11166 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
HTT P42858 2/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 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
SCHEMBL15213457 0.80 ACHE (0.37) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL11765896 0.78 ACHE (0.35) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL5751135 0.78 ACHE (0.43) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL3670998 0.74 ACHE (0.35) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL5746719 0.73 ALDH1A1 (0.75) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL9312315 0.71 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL30598970 0.70 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL11476309 0.70 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2MAPK1EP300
SCHEMBL2317562 0.70 TP53 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1TDP1
SCHEMBL29853674 0.70 TP53 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034221-B1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS LIFE TECHNOLOGIES CORP (US) 2014-05-14 EP disclosed
US-20110124510-A1 METHODS OF LABELING POLYNUCLEOTIDE WITH DIBENZORHODAMINE DYES Life Technologies Corporation (US) 2011-05-26 US disclosed
EP-2295503-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2011-03-16 EP disclosed
US-7833756-B2 Methods of labelling polynucleotides with dibenzorhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-16 US disclosed
EP-2221347-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-08-25 EP disclosed
EP-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 EP disclosed
EP-2179996-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-04-28 EP disclosed
US-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes APPLIED BIOSYSTEMS INC. (US) 2009-03-12 US disclosed
US-20070099210-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes APPLERA CORPORATION (US) 2007-05-03 US disclosed
US-7018431-B2 Sulfonated diarylrhodamine dyes APPLERA CORPORATION (US) 2006-03-28 US disclosed
EP-1408090-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2004-04-14 EP disclosed
US-6583168-B1 Fluorescent labels of nucleosides, nucleotides, polynucleotides, and polypeptides in nucleic acid analysis APPLERA CORPORATION 2003-06-24 US disclosed
US-6566071-B2 Useful as fluorescent labeling reagents APPLERA CORPORATION 2003-05-20 US disclosed
US-20020034761-A1 Methods of labelling polynucleotides with dibenzorhodamine dyes THE PERKIN-ELMER CORPORATION (US) 2002-03-21 US disclosed
US-6326153-B2 POLYNUCLEOTIDE SEQUENCING THE PERKIN-ELMER CORPORATION 2001-12-04 US disclosed
US-20010011139-A1 Polynucleotides labeled with dibenzorhodamine dyes THE PERKIN-ELMER CORPORATION 2001-08-02 US disclosed
US-6221606-B1 ENERGY TRANSFER DYE COMPRISING A DONOR DYE WHICH ABSORBS IGHT AND EMITS EXITATION ENERGY, AN ACCEPTOR DYE THE ABSORBS THE EXCITATION ENERGY AND FLUORESCES IN RESPONSE, AND A LINKER LINKING THE TWO DYES, AT LEAST ONE IS A DIBENZORHODAMINE DYE THE PERKIN-ELMER CORPORATION 2001-04-24 US disclosed
US-6111116-A FLUORESCENT LABELING REAGENTS THE PERKIN-ELMER CORPORATION (US) 2000-08-29 US disclosed
US-6051719-A FLUORESCENT LABELING REAGENTS THE PERKIN-ELMER CORPORATION (US) 2000-04-18 US disclosed
US-5936087-A FLUORESCENT LABELS; DNA SEQUENCING THE PERKIN-ELMER CORPORATION (US) 1999-08-10 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 (4 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-20020034761-A1 Methods of labelling polynucleotides with dibenzorhodamine dyes NUDT1, DUT, NSUN2 ALDH1A1 1831/4885KDM4E 3960/4885SMN1; SMN2 1068/4885
US-20010011139-A1 Polynucleotides labeled with dibenzorhodamine dyes NUDT1, DNTT, DUT ALDH1A1 1223/4885KDM4E 4648/4885SMN1; SMN2 872/4885
US-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes NUDT1, DUT, NSUN3 ALDH1A1 1629/4885KDM4E 3602/4885SMN1; SMN2 1538/4885
US-20070099210-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes NUDT1, DUT, NSUN3 ALDH1A1 1645/4885KDM4E 3782/4885SMN1; SMN2 1675/4885

“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.