SCHEMBL85468

SCHEMBL85468

CC#CCNC(=O)CCCCCNC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPK1 P28482 1/20 0.55
HIF1A Q16665 1/20 0.55
ADRA1A P35348 1/20 0.55
PAOX Q6QHF9 3/20 0.47
EPHX2 P34913 3/20 0.44
CASP2 P42575 1/20 0.42
FAAH O00519 4/20 0.41
NAAA Q02083 1/20 0.40
DNM1 Q05193 1/20 0.39
SELP P16109 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL13949817 0.83 KDM4E (0.52) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL21695694 0.81 KDM4E (0.68) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL31497564 0.79 EPHX2 (0.62) EPHX2CASP2FAAHNAAADNM1
SCHEMBL17371277 0.78 FAAH (0.64) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL23452547 0.78 FAAH (0.59) MAPK1EPHX2CASP2FAAHNAAA
SCHEMBL19960974 0.77 CASP2 (0.71) KDM4EMAPK1HIF1AADRA1AEPHX2
SCHEMBL16864576 0.77 KDM4E (0.61) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL24067534 0.77 ADRA1A (0.85) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL23735533 0.77 KDM4E (0.61) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL13445262 0.77 KDM4E (0.61) KDM4EMAPK1HIF1AADRA1APAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196295-A1 UV Excitable Fluorescent Energy Transfer Dyes Life Technologies Corporation (US) 2012-08-02 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-7550570-B2 Labeling nucleotide sequences with rhodamine dye APPLIED BIOSYSTEMS, LLC. (US) 2009-06-23 US disclosed
US-20090093623-A1 4,7-DICHLORORHODAMINE DYES APPLIED BIOSYSTEMS INC. (US) 2009-04-09 US disclosed
US-20090062543-A1 UV EXCITABLE FLUORESCENT ENERGY TRANSFER DYES APPLIED BIOSYSTEMS INC. (US) 2009-03-05 US disclosed
US-20090031506-A1 UV Excitable Fluorescent Energy Transfer Dyes APPLERA CORPORATION (US) 2009-02-05 US disclosed
US-7402671-B2 UV excitable fluorescent energy transfer dyes APPLERA CORPORATION (US) 2008-07-22 US disclosed
US-7378517-B2 UV excitable energy transfer reagents APPLERA CORPORATION (US) 2008-05-27 US disclosed
US-7179906-B2 Asymmetric benzoxanthene dyes APPLERA CORPORATION (US) 2007-02-20 US disclosed
US-7169939-B2 Energy transfer dyes with enhanced fluorescence APPLERA CORPORATION (US) 2007-01-30 US disclosed
US-7157572-B2 UV excitable energy transfer reagents APPLERA CORPORATION (US) 2007-01-02 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-20090062543-A1 UV EXCITABLE FLUORESCENT ENERGY TRANSFER DYES SLC46A1, SLC43A3, SLC25A4 KDM4E 3624/4885MAPK1 3417/4885HIF1A 3329/4885
US-20090093623-A1 4,7-DICHLORORHODAMINE DYES POLL, FPR3, DRD4 KDM4E 1350/4885MAPK1 3651/4885HIF1A 2854/4885
US-20120196295-A1 UV Excitable Fluorescent Energy Transfer Dyes SLC46A1, SLC43A3, SLC25A4 KDM4E 3624/4885MAPK1 3417/4885HIF1A 3329/4885
US-20110077415-A1 UV Excitable Fluorescent Energy Transfer Dyes SLC46A1, SLC43A3, SLC25A4 KDM4E 3624/4885MAPK1 3417/4885HIF1A 3329/4885

“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.