SCHEMBL864643

SCHEMBL864643

COc1ccc(COc2ccc(C=O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.69
NPC1 O15118 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 3/20 0.68
CYP2A6 P11509 1/20 0.68
APP P05067 5/20 0.61
MAOB P27338 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 2/20 0.57
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
FFAR1 O14842 2/20 0.55
HTT P42858 1/20 0.54
PTPN1 P18031 1/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53

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
SCHEMBL9129690 1.00 RAB9A (0.69) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL23223734 0.91 RAB9A (0.69) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL11614936 0.91 RAB9A (0.69) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL19209511 0.87 ALDH1A1 (0.70) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL864257 0.86 MAOB (0.67) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL13462927 0.86 SMN1; SMN2 (0.75) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL4054280 0.86 SMN1; SMN2 (0.75) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL4056179 0.86 MAOB (0.67) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL9607336 0.85 ALDH1A1 (0.79) RAB9ANPC1TDP1ALDH1A1CYP2A6
SCHEMBL20000873 0.84 APP (0.80) RAB9ANPC1ALDH1A1APPMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126835-B1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2026-02-18 EP disclosed
US-12516038-B2 Inhibitors of antigen presentation by HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2026-01-06 US disclosed
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
EP-4126835-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR Janssen Pharmaceutica NV (BE) 2023-02-08 EP disclosed
US-20220389036-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR?) AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2022-12-08 US disclosed
US-11447452-B2 Agonists of peroxisome proliferator-activated receptor alpha and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-09-20 US disclosed
WO-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed
US-20210024469-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2021-01-28 US disclosed
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 US disclosed
US-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY LA TROBE UNIVERSITY (AU) 2020-03-05 US disclosed
WO-2005086661-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2005-09-22 WO disclosed
US-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same KELLEHER JUDITH A (US) 2005-06-09 US disclosed
EP-1025079-B1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME RENOVIS INC (US) 2005-02-02 EP disclosed
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same RENOVIS, INC. 2003-05-08 US disclosed
US-6441032-B1 TREATING SYSTEMIC LUPIS AND MULTIPLE SCLEROSIS CENTAUR PHARMACEUTICALS, INC. 2002-08-27 US disclosed
US-6433008-B1 TREATING PARKINSON*S, ALZHEIMER*S, AUTOIMMUNE AND RHEUMATIC DISEASES; HUMAN IMMUNODEFICIENCY VIRUS (HIV) DEMENTIA, AND INFLAMMATION CENTAUR PHARMACEUTICALS, INC. 2002-08-13 US disclosed
EP-1025079-A1 $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 2000-08-09 EP disclosed
US-6046232-A THERAPEUTICS FOR TREATING AND/OR PREVENTING NEUROLOGICAL, AUTOIMMUNE AND INFLAMMATORY CONDITIONS IN MAMMALS AND AS ANALYTICAL REAGENTS FOR DETECTING FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-04 US disclosed
WO-1999020601-A1 α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CENTAUR PHARMACEUTICALS, INC. (US) 1999-04-29 WO disclosed
WO-1994029287-A1 ARYLIDENE-4-OXO-2-THIOXO-3-THIAZOLIDINE CARBOXYLIC AIDS, METHOD OF PREPARING THEM AND DRUGS CONTAINING SUCH COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-22 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 (7 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-20200068890-A1 HETEROCYCLIC INHIBITORS OF LYSINE BIOSYNTHESIS VIA THE DIAMINOPIMELATE PATHWAY DDC, ODC1, DDT RAB9A 4220/4885NPC1 4460/4885TDP1 717/4885
US-20210024469-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA AND METHODS OF USE PPARG, PPARA, PPARD RAB9A 2886/4885NPC1 1872/4885TDP1 3044/4885
US-20050124691-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA RAB9A 2194/4885NPC1 389/4885TDP1 218/4885
US-20230150985-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR HLA-DRB1, CD74, HLA-C RAB9A 2175/4885NPC1 196/4885TDP1 3116/4885
US-11447452-B2 Agonists of peroxisome proliferator-activated receptor alpha and methods of use PPARG, PPARA, PPARD RAB9A 2886/4885NPC1 1872/4885TDP1 3044/4885
US-20220389036-A1 AGONISTS OF PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR ALPHA (PPAR?) AND METHODS OF USE PPARG, PPARA, PPARD RAB9A 2817/4885NPC1 1631/4885TDP1 3204/4885
US-20030087957-A1 Alpha-aryl-N-alkylnitrones and pharmaceutical compositions containing the same NLN, NAT1, SNCA RAB9A 2090/4885NPC1 400/4885TDP1 263/4885

“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.