SCHEMBL3289399

SCHEMBL3289399

CCOC(=O)/C=C(/C)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
HCAR2 Q8TDS4 2/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
GLO1 Q04760 1/20 0.39
MAPT P10636 5/20 0.37
ALOX15 P16050 1/20 0.37
SOAT1 P35610 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL9640847 1.00 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL3289401 1.00 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL9639948 0.86 NPSR1 (0.58) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL136952 0.86 NPSR1 (0.58) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL221523 0.86 NPSR1 (0.58) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10532252 0.82 ALDH1A1 (0.44) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11126166 0.80 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL19397674 0.79 ATM (0.59) NPSR1HCAR2ALDH1A1MAPTRAB9A
SCHEMBL28006779 0.79 ATM (0.59) NPSR1HCAR2ALDH1A1MAPTRAB9A
SCHEMBL23142290 0.78 NPSR1 (0.45) NPSR1ALDH1A1LMNAHSD17B10MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-04-06 US disclosed
US-20200255395-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2020-08-13 US disclosed
US-10584108-B2 Therapeutic compounds and methods of use thereof KUALITY HERBCEUTICS LLC (US) 2020-03-10 US disclosed
EP-2781519-B1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME ST PHARM CO LTD (KR) 2019-10-30 EP disclosed
US-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2018-05-17 US disclosed
US-9758690-B2 Transparent resin composition for sealing organic electroluminescence element, resin sheet for sealing organic electroluminescence element, and apparatus for displaying image FURUKAWA ELECTRIC CO., LTD. (JP) 2017-09-12 US disclosed
US-9499537-B2 Antiviral pyrrolopyridine derivatives and method for preparing the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2016-11-22 US disclosed
WO-2016179587-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF KUALITY HERBCEUTICS LLC (US) 2016-11-10 WO disclosed
US-20150291824-A1 TRANSPARENT RESIN COMPOSITION FOR SEALING ORGANIC ELECTROLUMINESCENCE ELEMENT, RESIN SHEET FOR SEALING ORGANIC ELECTROLUMINESCENCE ELEMENT, AND APPARATUS FOR DISPLAYING IMAGE FURUKAWA ELECTRIC CO., LTD. (JP) 2015-10-15 US disclosed
EP-2781519-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVE AND A PRODUCTION METHOD FOR SAME Korea Research Institute of Chemical Technology (KR) 2014-09-24 EP disclosed
US-20140249162-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-09-04 US disclosed
US-7723065-B2 Conditions for reactions mediated by yeast VICTORIA UNIVERSITY (AU) 2010-05-25 US disclosed
US-20070212819-A1 Silicone Adhesive MOMENTIVE PERFORMANCE MATERIALS JAPAN LLC (JP) 2007-09-13 US disclosed
US-20050084943-A1 New conditions for reactions mediated by yeast VICTORIA UNIVERSITY OF TECHNOLOGY (AU) 2005-04-21 US disclosed
US-20030181515-A1 Methods of using kavalactone compositions KAVA PHARMACEUTICALS, INC., A DELAWARE CORPORATION 2003-09-25 US disclosed
US-20020192241-A1 Methods of using kavalactone compositions SYNTA PHARMACEUTICALS CORP. 2002-12-19 US disclosed
US-20020187169-A1 Kavalactone compositions SYNTA PHARMACEUTICALS CORP. 2002-12-12 US disclosed
US-4855320-A ANTICONVULSANTS, ANTIEPILEPTICS DR. WILLMAR SCHWABE GMBH & COMPANY (DE) 1989-08-08 US disclosed
US-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 US disclosed
US-4431668-A INSECTICIDES; PESTICIDES; PHOTOSTABILITY DAINIPPON JOCHUGIKU KABUSHIKI KAISHA (JP) 1984-02-14 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 (8 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-20230107216-A1 PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, NQO1, VKORC1 NPSR1 2430/4885HCAR2 1720/4885ALDH1A1 806/4885
US-20180134679-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NQO1, VHL, XIAP NPSR1 1750/4885HCAR2 833/4885ALDH1A1 223/4885
US-20200255395-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NQO1, VHL, XIAP NPSR1 1750/4885HCAR2 833/4885ALDH1A1 223/4885
US-20140249162-A1 NOVEL ANTIVIRAL PYRROLOPYRIDINE DERIVATIVES AND METHOD FOR PREPARING THE SAME MAVS, IMPDH1, SARS1 NPSR1 3218/4885HCAR2 3779/4885ALDH1A1 2320/4885
US-20020187169-A1 Kavalactone compositions KLK14, KLHL20, KLHL6 NPSR1 4537/4885HCAR2 3446/4885ALDH1A1 2448/4885
US-10584108-B2 Therapeutic compounds and methods of use thereof NQO1, VHL, XIAP NPSR1 1750/4885HCAR2 833/4885ALDH1A1 223/4885
US-20030181515-A1 Methods of using kavalactone compositions KHK, KLK4, KLK14 NPSR1 4379/4885HCAR2 3286/4885ALDH1A1 2705/4885
US-20020192241-A1 Methods of using kavalactone compositions KHK, KLK4, KLK14 NPSR1 4379/4885HCAR2 3286/4885ALDH1A1 2705/4885

“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.