SCHEMBL3147684

SCHEMBL3147684

COc1cccc(COC(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.59
MMP2 P08253 2/20 0.59
MMP9 P14780 2/20 0.59
MMP12 P39900 2/20 0.59
ALDH1A1 P00352 3/20 0.59
IDO1 P14902 2/20 0.59
AGXT P21549 2/20 0.59
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.54
CYP1A2 P05177 1/20 0.53
MAOB P27338 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTBP2 P56545 1/20 0.51
MMP13 P45452 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL31326237 0.88 MMP1 (0.61) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL28556983 0.88 MMP1 (0.61) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL31083932 0.86 MMP1 (0.59) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL10351327 0.86 CYP3A4 (0.61) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL6709375 0.85 ALDH1A1 (0.73) ALDH1A1RAB9AMAOBKMT2AKDM4E
SCHEMBL6139463 0.85 IDO1 (0.62) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL5526159 0.85 MMP1 (0.58) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL30486011 0.84 MMP1 (0.54) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL11740929 0.84 NPC1 (0.55) MMP1MMP2MMP9MMP12ALDH1A1
SCHEMBL5072089 0.84 MMP1 (0.54) MMP1MMP2MMP9MMP12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260185-A Deuterated derivatives of corydaline and stepholidine and preparation method thereof 杨征 2022-11-01 CN disclosed
EP-3122749-B1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PLC (GB) 2019-03-13 EP disclosed
CN-108617166-A Protein Kinase Inhibitor Benzolactam Compounds 大冢制药株式会社 2018-10-02 CN disclosed
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-07-27 US disclosed
WO-2015145161-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2015-10-01 WO disclosed
WO-2014169817-A1 PHENYLALANINE COMPOUND HAVING NITROGEN HETEROCYCLIC LINK, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 中国科学院上海药物研究所 (CN) 2014-10-23 WO disclosed
EP-2125683-B1 3-BENZOFURANYL-4-INDOLYL-MALEIMIDES AS POTENT GSK-3 INHIBITORS FOR NEURODEGENERATIVE DISORDERS UNIV ILLINOIS (US) 2013-10-23 EP disclosed
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-8207216-B2 Benzofuran-3-yl(indol-3-yl) maleimides as potent GSK3 inhibitors THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-06-26 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease TUNG ROGER D 2008-11-27 US disclosed
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 WO disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-7321063-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-5354919-A Catalyzing with an oxidizers in an aqueous solution and a solid palladium-containing oxidation catalysts RHONE-POULENC CHIMIE (FR) 1994-10-11 US disclosed
EP-0577476-A1 Process for the oxidation of aromatic compounds containing an oxidisable alkyl group RHONE-POULENC CHIMIE (FR) 1994-01-05 EP disclosed
US-4513001-A β-Adrenergic 1-[1-benzimidazolyl]-N-[2-(4-hydroxy-3-methoxy-phenyl)-2-hydroxy-ethyl]-3-amino butane and salts and hydrates thereof LABORATOIRE ROGER BELLON (FR) 1985-04-23 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 (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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MMP1 2571/4885MMP2 3529/4885MMP9 3497/4885
US-20170210744-A1 PROCESS FOR PREPARING A CARBAPENEM ANTIBIOTIC MGAM, HAMP, MB MMP1 2042/4885MMP2 1988/4885MMP9 662/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MMP1 2571/4885MMP2 3529/4885MMP9 3497/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 MMP1 2571/4885MMP2 3529/4885MMP9 3497/4885
US-20080293727-A1 Novel sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MMP1 808/4885MMP2 484/4885MMP9 584/4885

“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.