SCHEMBL9966002

SCHEMBL9966002

CCC(C)C(=O)NC(C)(C)CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
GLS O94925 1/20 0.33

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
SCHEMBL19392024 1.00 EPHX1 (0.39) EPHX1PKMHPGDKDM4EL3MBTL1
SCHEMBL13942281 0.85 CNR1 (0.35) KDM4EL3MBTL1ALDH1A1HSD17B10CA1
SCHEMBL25762057 0.83 EPHX1 (0.37) EPHX1PKMHPGDKDM4EL3MBTL1
SCHEMBL20725215 0.83 ALDH1A1 (0.34) KDM4EL3MBTL1ALDH1A1HSD17B10CA1
SCHEMBL12762555 0.83 ALDH1A1 (0.34) KDM4EL3MBTL1ALDH1A1HSD17B10CA1
SCHEMBL8279457 0.83 POLB (0.41) EPHX1PKMKDM4EL3MBTL1ALDH1A1
SCHEMBL14648785 0.83 MMP8 (0.36) KDM4EL3MBTL1ALDH1A1HSD17B10CA1
SCHEMBL15698015 0.83 USP2 (0.35) EPHX1PKMHPGDKDM4EL3MBTL1
SCHEMBL13947602 0.83 USP2 (0.35) EPHX1PKMHPGDKDM4EL3MBTL1
SCHEMBL13284889 0.83 ALDH1A1 (0.35) KDM4EL3MBTL1ALDH1A1HSD17B10CA1

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-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF NEURALEXO, INC. 2022-12-15 US disclosed
US-10550073-B2 Benzamide derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-02-04 US disclosed
EP-3052483-B1 COMPOUNDS FOR AFFINITY CHROMATOGRAPHY GLAXOSMITHKLINE IP DEV LTD (GB) 2019-02-06 EP disclosed
US-8905533-B2 Ink composition and image forming method FUJIFILM CORPORATION (JP) 2014-12-09 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120200653-A1 INK COMPOSITION AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-08-09 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-7939240-B2 Lithographic printing plate precursor and method of producing printing plate FUJIFILM CORPORATION (JP) 2011-05-10 US disclosed
US-20110064936-A1 Method of Asymmetrically Functionalizing Porous Materials MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-03-17 US disclosed
WO-2010084090-A1 PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. CIS BIO INTERNATIONAL (FR) 2010-07-29 WO disclosed
US-7704671-B2 comprising hydrophilic support, undercoat layer and laser-sensitive photopolymerizable layer, wherein undercoat layer contains copolymer containing a repeating unit having at least one ethylenically unsaturated bond and repeating unit having functional group capable of interacting with surface of support FUJIFILM CORPORATION (JP) 2010-04-27 US disclosed
US-20090018188-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS EASTERN MICHIGAN UNIVERSITY 2009-01-15 US disclosed
US-7285165-B2 Cement compositions comprising set retarder compositions and associated methods HALLIBURTON ENERGY SERVICES, INC. (US) 2007-10-23 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-20090018188-A1 BACTERICIDAL SILVER SURFACTANT DELIVERY INTO COATING AND POLYMER COMPOSITIONS CAPG, CLTB, DSTN EPHX1 4207/4885PKM 4640/4885HPGD 3827/4885
US-20220395500-A1 SMALL MOLECULE ACTIVATORS OF INTERFERON REGULATORY FACTOR 3 AND METHODS OF USE THEREOF IRF3, IRF2BP2, STAT1 EPHX1 3631/4885PKM 4179/4885HPGD 3808/4885
US-10550073-B2 Benzamide derivative CYP3A5, ABCB1, CYP2D6 EPHX1 1725/4885PKM 994/4885HPGD 1168/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 EPHX1 1340/4885PKM 1106/4885HPGD 1024/4885

“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.