SCHEMBL1306450

SCHEMBL1306450

[CH2]C#CCc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2D6 P10635 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
ACP3 P15309 1/20 0.43
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.38
POLB P06746 1/20 0.38
CTNNB1 P35222 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL1611674 0.80 CYP2C19 (0.50) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL2858430 0.79 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL2858432 0.79 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL29257681 0.78 CYP1A2 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL367154 0.78 TDP1 (0.47) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL28124379 0.78 POLB (0.43) TDP1ALDH1A1MAPTPOLB
SCHEMBL182660 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL6176844 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL146603 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL1611986 0.75 CYP1A2 (0.52) CYP1A2CYP2C19CYP2C9CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-7943612-B2 Compounds that modulate PPAR activity, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-05-17 US disclosed
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC 2009-02-19 US disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1999098-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE High Point Pharmaceuticals, LLC (US) 2008-12-10 EP disclosed
US-7355037-B2 Thermolabile hydroxyl protecting groups and methods of use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-08 US disclosed
US-7273953-B2 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-09-25 US disclosed
WO-2007101864-A2 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS, LLC (US) 2007-09-13 WO disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2006-12-14 US disclosed
US-20060069287-A1 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-03-30 US disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO disclosed
US-20050020827-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-01-27 US disclosed
WO-2004101582-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-11-25 WO disclosed
WO-2003048179-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-06-12 WO disclosed
US-4020111-A Propynyloxy alkyl arene insecticides HENNESSY DOUGLAS J 1977-04-26 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 (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-20050020827-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, NR2C2, NR1H2 CYP1A2 35/4885CYP2C19 502/4885CYP2C9 453/4885
US-20060069287-A1 Process for producing arylamine TYR, AADAC, AOC2 CYP1A2 51/4885CYP2C19 204/4885CYP2C9 82/4885
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, CYP2E1, ADH1C CYP1A2 17/4885CYP2C19 124/4885CYP2C9 83/4885
US-20090048257-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY, THEIR PREPARATION AND USE PPARD, PPARG, PPARA CYP1A2 623/4885CYP2C19 372/4885CYP2C9 854/4885
US-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA CYP1A2 527/4885CYP2C19 580/4885CYP2C9 1068/4885

“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.