SCHEMBL1153493

SCHEMBL1153493

CC(C)(O)C(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
MAPK1 P28482 1/20 0.61
SLC6A2 P23975 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
MAOA P21397 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
CYP2A6 P11509 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
EPHX1 P07099 1/20 0.52
CYP2D6 P10635 1/20 0.50
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
LAP3 P28838 3/20 0.46

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
SCHEMBL8540631 1.00 KDM4E (0.61) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1153491 1.00 KDM4E (0.61) KDM4ELMNAMAPK1SLC6A2TAAR1
Hydrochloric Acid SCHEMBL4524323 0.98 KDM4E (0.59) KDM4ELMNAMAPK1SLC6A2TAAR1
Water SCHEMBL11513174 0.98 KDM4E (0.59) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1828646 0.84 KDM4E (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL1234677 0.84 KDM4E (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL7258479 0.84 LTA4H (0.58) LMNASLC6A2MAOASLC6A3SIGMAR1
SCHEMBL3843513 0.83 SLC6A2 (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL14038762 0.83 SLC6A2 (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1
SCHEMBL10253191 0.83 SLC6A2 (0.58) KDM4ELMNAMAPK1SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 CN claimed
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 CN disclosed
CN-110724112-A Bisoxazoline ligand compound and synthetic method thereof 五邑大学 2020-01-24 CN disclosed
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-0942010-B1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymer SUMITOMO CHEMICAL CO (JP) 2003-06-18 EP disclosed
US-6500909-B2 CONTAINING NICKEL, PALLADIUM, RHODIUM, RUTHENIUM, OR COBALT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-31 US disclosed
US-6410741-B1 INSECTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-20010027162-A1 Transition metal compound, catalyst component for olefin polymerization, catalyst for olefin polymerization, and process for producing olefinic polymer HIRAHATA WATARU (JP) 2001-10-04 US disclosed
US-6242377-B1 POLYMERIZATION IN PRESENCE OF BISOXAZOLINE WITH NICKEL, COBALT, PALLADIUM, RHODIUM, RUTHENIUM, ALUMINUM AND BORON COMPLEXES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6072081-A Optically active bisoxazoline compounds, production and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-06 US disclosed
EP-0942010-A1 Transition metal compounds, catalyst components and catalysts for olefin polymerization, and process for producing olefinic polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-15 EP disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP 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 (1 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-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 KDM4E 3354/4885LMNA 1389/4885MAPK1 2947/4885

“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.