SCHEMBL12647693

SCHEMBL12647693

COc1cc2ccccc2c2c1C(C)(C)CN2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ UGCG Q16739 1/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CTSG P08311 1/20 0.35
▸ CMA1 P23946 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL12809942 0.92 ACACA (0.39) KDM4EGLAGAAHTTPDE4A
SCHEMBL13352177 0.85 MEN1 (0.34) KDM4EGLAGAAHTTALDH1A1
SCHEMBL12809943 0.82 FAAH (0.33) KDM4EGLAGAAHTTNPSR1
SCHEMBL1408900 0.82 MAPT (0.39) ALDH1A1MAPTNPSR1LMNANQO1
SCHEMBL1408775 0.81 TRPM4 (0.39) KDM4EGLAGAAHTTALDH1A1
SCHEMBL1408738 0.78 MEN1 (0.39) KDM4EGLAALDH1A1MAPTNPSR1
SCHEMBL13244058 0.74 PIK3CA (0.35) ALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12809648 0.74 PGR (0.39) KDM4EGAAALDH1A1MAPTNPSR1
SCHEMBL15694261 0.71 FABP4 (0.38) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL15694245 0.69 CNR2 (0.37) HTTALDH1A1HPGD

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 6 patents. 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-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 — — EP disclosed
US-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes APPLIED BIOSYSTEMS INC. (US) 2009-03-12 — — 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 (1 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-20090068751-A1 Methods of Labelling Polynucleotides with Dibenzorhodamine Dyes NUDT1, DUT, NSUN3 KDM4E 3602/4885GLA 4443/4885GAA 2790/4885

“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.

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