SCHEMBL7916934

SCHEMBL7916934

O=C1CCCc2ccoc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
CYP2A6 P11509 1/20 0.42
PRKCI P41743 1/20 0.37
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
STAT1 P42224 1/20 0.36
BAZ2B Q9UIF8 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B1 P14061 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 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
SCHEMBL3138158 0.96 MAOA (0.38) MAOAMAOBCYP2A6PRKCIHSD17B10
SCHEMBL15844709 0.86
SCHEMBL8194619 0.86 MAOA (0.33) MAOAMAOBCYP2A6PRKCIHSD17B10
SCHEMBL10198693 0.74
SCHEMBL13315856 0.70 PTPRC (0.32) PTPRC
SCHEMBL22606205 0.69 HPGD (0.43) HSD17B10NPSR1HTTPKMMEN1
SCHEMBL3227687 0.67
SCHEMBL23804865 0.66 HTR2A (0.42) MAOAMAOBCYP2A6PRKCIHSD17B10
SCHEMBL22606096 0.65 ALDH1A1 (0.38) MAOAHSD17B10NPSR1SMN1; SMN2HTT
SCHEMBL22606094 0.65 SLC6A2 (0.32) MAOAMAOBKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2024-12-05 US disclosed
US-20240131356-A1 COMBINATION OF INTRACELLULAR AND EXTRACELLULAR PHOTOSENSITIZERS FOR TREATMENT OF BACTERIAL INFECTION VANDERBILT UNIVERSITY 2024-04-25 US disclosed
EP-4284912-A1 COMBINATION OF INTRACELLULAR AND EXTRACELLULAR PHOTOSENSITIZERS FOR TREATMENT OF BACTERIAL INFECTION Vanderbilt University (US) 2023-12-06 EP disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
WO-2022165023-A1 COMBINATION OF INTRACELLULAR AND EXTRACELLULAR PHOTOSENSITIZERS FOR TREATMENT OF BACTERIAL INFECTION VANDERBILT UNIVERSITY (US) 2022-08-04 WO disclosed
EP-3998256-A1 CRYSTALLINE FORM OF CXCR2 ANTAGONIST AND APPLICATION THEREOF Shenzhen Optimum Biological Technology Co., Ltd (CN) 2022-05-18 EP disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
US-11136315-B2 CXCR2 antagonist MEDSHINE DISCOVERY INC. (CN) 2021-10-05 US disclosed
US-20130068993-A1 DEICER COMPOSITIONS AND PROCESSES FOR MAKING DEICERS API INTELLECTUAL PROPERTY HOLDINGS, LLC (US) 2013-03-21 US disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
WO-2010094242-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME CORP. (US) 2010-08-26 WO disclosed
US-5834499-A TREATING GASTROINTESTINAL DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed
US-5304554-A Intercalators of DNA, inhibit replication of retroviruses EMORY UNIVERSITY (US) 1994-04-19 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-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MAOA 3698/4885MAOB 1695/4885CYP2A6 432/4885
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB MAOA 3698/4885MAOB 1695/4885CYP2A6 432/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MAOA 3698/4885MAOB 1695/4885CYP2A6 432/4885
US-20110306595-A1 SPIROPYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, APP MAOA 865/4885MAOB 740/4885CYP2A6 909/4885
US-11136315-B2 CXCR2 antagonist CXCR2, CXCR3, CXCR1 MAOA 4772/4885MAOB 4331/4885CYP2A6 2304/4885

“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.