SCHEMBL1408873

SCHEMBL1408873

COc1cnc2c(ccc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
CYP2A6 P11509 2/20 0.50
RELA Q04206 1/20 0.48
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
CYP17A1 P05093 1/20 0.43
NQO1 P15559 1/20 0.40
TP53 P04637 1/20 0.40
NQO2 P16083 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL30492638 0.83 RELA (0.52) CYP1A2CYP2A6RELACYP11B1CYP11B2
SCHEMBL6347577 0.83 RELA (0.52) CYP1A2CYP2A6RELACYP11B1CYP11B2
SCHEMBL30492598 0.79 CCR1 (0.62) CYP1A2CYP2A6RELACYP3A4CYP2D6
SCHEMBL6356302 0.79 CCR1 (0.62) CYP1A2CYP2A6RELACYP3A4CYP2D6
SCHEMBL18573234 0.79 MEN1 (0.41) CYP1A2CYP2A6RELACYP11B1CYP11B2
SCHEMBL29923835 0.77 MAPT (0.45) CYP1A2CYP2A6RELAMAPTRAB9A
Jineol Methyl Ether SCHEMBL8613544 0.77 HPGDS (0.62) CYP1A2CYP2A6RELACYP2C9CYP2C19
SCHEMBL29720393 0.77 CCR1 (0.67) CYP1A2CYP2A6MAPTKMT2ATDP1
SCHEMBL9041309 0.77 CCR1 (0.67) CYP1A2CYP2A6MAPTKMT2ATDP1
SCHEMBL10320559 0.76 PARP1 (0.45) CYP1A2CYP2A6RELACYP3A4MAPT

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 28 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
WO-2002044416-A2 SULFONATED DIARYLRHODAMINE DYES AS FLUORESCENT LABELS APPLERA CORPORATION (US) 2002-06-06 WO 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
EP-1034221-A1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS THE PERKIN-ELMER CORPORATION (US) 2000-09-13 EP 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
WO-1999027020-A1 DIBENZORHODAMINE DYES USEFUL AS FLOURESCENT LABELLING AGENTS THE PERKIN-ELMER CORPORATION (US) 1999-06-03 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 (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 CYP1A2 3124/4885CYP2A6 2301/4885RELA 3239/4885
US-20010011139-A1 Polynucleotides labeled with dibenzorhodamine dyes NUDT1, DNTT, DUT CYP1A2 2069/4885CYP2A6 2106/4885RELA 2528/4885
US-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes NUDT1, DUT, NSUN3 CYP1A2 3449/4885CYP2A6 2010/4885RELA 2933/4885
US-20070099210-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes NUDT1, DUT, NSUN3 CYP1A2 3276/4885CYP2A6 2106/4885RELA 2851/4885

“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.