SCHEMBL1714142

SCHEMBL1714142

CC1=Nc2ccccc2C1(C)CCCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
APEX1 P27695 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PTGIR P43119 2/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1A P35348 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL14048649 0.99 APEX1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15304503 0.94 APEX1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3340797 0.94 APEX1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7602622 0.84 ALDH1A1 (0.40) APEX1MAPK1ALDH1A1
SCHEMBL559121 0.83 NPSR1 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1715045 0.83 CASP3 (0.34) NPSR1SMN1; SMN2ALDH1A1
SCHEMBL14048648 0.83 TSHR (0.40) APEX1ALDH1A1
SCHEMBL22423608 0.81 F13A1 (0.33) HDAC11NPSR1ALDH1A1
SCHEMBL24584317 0.81 PTGS2 (0.38) MAPK1SMN1; SMN2ALDH1A1
SCHEMBL12012082 0.81 TBXAS1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834489-B2 Methods for quantifying ligand efficacy in G-protein coupled receptors using single-molecule fluorescence energy transfer CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-20230270890-A1 FLUORESCENT COMPOUND FOR DETECTING BIOLOGICAL MATERIAL AND PREPARATION METHOD THEREOF BIOACTS CORPORATION (KR) 2023-08-31 US disclosed
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF BIOACTS CO., LTD. (KR) 2017-11-02 US disclosed
US-8378120-B2 Method and reagent for measuring nitroreductase enzyme activity GE HEALTHCARE UK LIMITED (GB) 2013-02-19 US disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
US-8044203-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2011-10-25 US disclosed
EP-1525265-B1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2011-07-20 EP disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
EP-2258776-A1 Fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2010-12-08 EP disclosed
US-7615646-B2 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups CARNEGIE MELLON UNIVERSITY (US) 2009-11-10 US disclosed
CN-101522815-A Unsymmetrical fluoro-substituted polymethine dyes GE HEALTHCARE UK LTD (NO) 2009-09-02 CN disclosed
US-7579140-B2 Method and reagent for measuring nitroreductase enzyme activity GE HEALTHCARE UK LIMITED (GB) 2009-08-25 US disclosed
US-20080317674-A1 Method and Reagent for Measuring Nitroreductase Enzyme Activity GE HEALTHCARE UK LIMITED (GB) 2008-12-25 US disclosed
EP-1749103-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY GE Healthcare UK Limited (GB) 2007-02-07 EP disclosed
US-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed
WO-2005118839-A1 METHOD AND REAGENT FOR MEASURING NITROREDUCTASE ENZYME ACTIVITY GE HEALTHCARE UK LIMITED (GB) 2005-12-15 WO disclosed
EP-1525265-A4 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS UNIV CARNEGIE MELLON (US) 2005-06-22 EP disclosed
EP-1525265-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE-MELLON UNIVERSITY (US) 2005-04-27 EP disclosed
WO-2004039894-A2 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2004-05-13 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 (5 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-20060051758-A1 Chiral indole intermediates and their fluorescent cyanine dyes containing functional groups IDO1, TDO2, IDO2 HDAC3 1285/4885HDAC4 3911/4885HDAC1 3278/4885
US-11834489-B2 Methods for quantifying ligand efficacy in G-protein coupled receptors using single-molecule fluorescence energy transfer GPR3, GPR4, GPR68 HDAC3 2953/4885HDAC4 3843/4885HDAC1 4529/4885
US-20230270890-A1 FLUORESCENT COMPOUND FOR DETECTING BIOLOGICAL MATERIAL AND PREPARATION METHOD THEREOF F12, MRGPRX4, C3AR1 HDAC3 1043/4885HDAC4 3107/4885HDAC1 1601/4885
US-20170313883-A1 FLUORESCENCE COMPOUNDS AND PREPARATION METHOD THEREOF CDY1; CDY1B, CYP2F1, CYP4F11 HDAC3 1155/4885HDAC4 3922/4885HDAC1 1681/4885
US-20080317674-A1 Method and Reagent for Measuring Nitroreductase Enzyme Activity CBR3, CBR1, SQOR HDAC3 1327/4885HDAC4 1884/4885HDAC1 1691/4885

“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.