SCHEMBL2248786

SCHEMBL2248786

O=[C]c1ccccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 2/20 0.50
ALPG P10696 1/20 0.50
PTK2B Q14289 1/20 0.50
DRD2 P14416 1/20 0.50
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
LIPE Q05469 1/20 0.49
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
BRD4 O60885 1/20 0.46
SGMS2 Q8NHU3 3/20 0.45
PTGER1 P34995 1/20 0.44

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
SCHEMBL8488982 0.86 MAPT (0.51) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL6539340 0.81 CYP11B1 (0.45) HTR1ADRD2NPC1
SCHEMBL7284996 0.81 MAOB (0.62) MAPTL3MBTL1MAOB
SCHEMBL6161980 0.81 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL31139621 0.81 MAPT (0.53) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL448079 0.81 MAOB (0.57) MAPTMAPK1TDP1L3MBTL1HTR1A
SCHEMBL6539635 0.80 IDO1 (0.47) DRD2NPC1MAOB
SCHEMBL692157 0.79 ALOX5 (0.50) MAPTMAPK1TDP1L3MBTL1ALPG
SCHEMBL6538639 0.79 FFAR1 (0.45) L3MBTL1
SCHEMBL339812 0.79 MAPT (0.71) MAPTMAPK1TDP1L3MBTL1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249116-B2 Enzyme-activating compounds and compositions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US claimed
CN-103554040-B A kind of preparation method of deferasirox derivative NANJING JINGLONG DRUG RESEARCH AND DEVELOPMENT CO., LTD. (CN) 2015-12-02 CN claimed
US-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-07-30 US claimed
EP-0983228-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP claimed
JP-2002523448-A 2002-07-30 JP claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
US-20020065230-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-05-30 US claimed
EP-1107758-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2001-06-20 EP claimed
CN-1255119-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-05-31 CN claimed
WO-2000012074-A2 USE OF PIPERIDINES AND/OR PIPERAZINES AS INHIBITORS OF P38-ALPHA KINASE SCIOS INC. (US) 2000-03-09 WO claimed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP claimed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO claimed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP claimed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US claimed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO claimed
US-4539155-A New peptide, process for preparation thereof and use thereof FUISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1985-09-03 US claimed
JP-59155372-A None JP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 EP disclosed
JP-S59155372-A 6,7-DIMETHOXYQUINAZOLINE DERIVATIVE SANKYO CO LTD 1984-09-04 JP 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 (2 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-20020065230-A1 Protease inhibitors PRSS1, DNPEP, CTSZ MAPT 3494/4885MAPK1 3923/4885TDP1 1610/4885
US-20150210659-A1 PARTICULATE DRUG DELIVERY METHODS CASP3, BAX, CASP5 MAPT 2006/4885MAPK1 3832/4885TDP1 356/4885

“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.