SCHEMBL2973753

SCHEMBL2973753

COC(=O)c1cc(OC)cc(C(=O)OC)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL27730282 0.92 LMNA (0.47) BACE1ALDH1A1KDM4EGAACYP1A2
SCHEMBL30418230 0.88 CYP3A4 (0.46) BACE1ALDH1A1KDM4EGAACYP1A2
SCHEMBL17477633 0.88 CYP3A4 (0.46) BACE1ALDH1A1KDM4EGAACYP1A2
SCHEMBL7225274 0.88 ALDH1A1 (0.56) BACE1ALDH1A1KDM4ECYP1A2MAPT
SCHEMBL19623132 0.88 GRM5 (0.51) BACE1ALDH1A1KDM4EMAPTRECQL
SCHEMBL29660333 0.87 BACE1 (0.44) BACE1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL403075 0.87 BACE1 (0.44) BACE1ALDH1A1KDM4ECYP3A4HPGD
SCHEMBL2088551 0.87 CYP3A4 (0.45) BACE1ALDH1A1KDM4EMAPTCYP3A4
SCHEMBL28418121 0.84 TERT (0.44) BACE1ALDH1A1KDM4EGAACYP1A2
SCHEMBL3938173 0.84 BACE1 (0.42) BACE1ALDH1A1KDM4EGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
US-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITÉ DE STRASBOURG (FR) 2021-07-22 US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 US disclosed
EP-3749305-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Université de Strasbourg (FR) 2020-12-16 EP disclosed
CN-111683660-A Compounds and compositions for the treatment of pain 斯特拉斯堡大学 2020-09-18 CN disclosed
WO-2019149965-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN UNIVERSITE DE STRASBOURG (FR) 2019-08-08 WO disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
WO-2016120808-A1 HETEROARYLAMINOISOQUINOLINES, METHODS FOR THEIR PREPARATION AND THERAPEUTIC USES THEREOF MINORYX THERAPEUTICS S.L. (ES) 2016-08-04 WO disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
US-7781453-B2 Aminopyridine-derivatives ALTANA PHARMA AG (DE) 2010-08-24 US disclosed
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine ALTANA PHARMA AG 2008-07-24 US disclosed
US-7317021-B2 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-01-08 US disclosed
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors ALTANA PHARMA AG (DE) 2007-02-22 US disclosed
EP-1670798-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS Altana Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005061496-A1 AMINOPYRIDINE-DERIVATIVES AS INDUCTIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-07-07 WO disclosed
EP-0739345-B1 CYCLIC POLYAMINES ANORMED INC (CA) 2003-04-09 EP disclosed
US-5698546-A Cyclic polyamines JOHNSON MATTHEY PUBLIC LIMTED COMPANY (GB) 1997-12-16 US disclosed
EP-0739345-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1996-10-30 EP disclosed
WO-1995018808-A1 CYCLIC POLYAMINES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1995-07-13 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-20210221784-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN ACHE, TRPV1, OPRL1 BACE1 3964/4885ALDH1A1 917/4885KDM4E 2441/4885
US-20070043072-A1 Aminopyridine-derivatives as inductible no-synthase inhibitors NOS2, NOS1, NOS3 BACE1 2842/4885ALDH1A1 323/4885KDM4E 1682/4885
US-20080176894-A1 Used as nitric oxide synthase inhibitors; treating acute inflammatory disease with such as 2-[2-(2-amino-4-methylpyridin-6-yl)ethyl]-3H-imidazo[4,5-b]pyridine NOS2, NOS1, NOS3 BACE1 2294/4885ALDH1A1 990/4885KDM4E 1324/4885
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 BACE1 2141/4885ALDH1A1 1490/4885KDM4E 840/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 BACE1 2141/4885ALDH1A1 1490/4885KDM4E 840/4885

“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.