SCHEMBL12820087

SCHEMBL12820087

Cc1ccc(C(C)CC(N)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
STAT3 P40763 1/20 0.59
CYP2C19 P33261 1/20 0.53
ALOX5 P09917 1/20 0.50
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR1 O14842 2/20 0.42
GRIA4 P48058 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
DCAF1 Q9Y4B6 1/20 0.39
POLB P06746 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL12883148 1.00 ACHE (0.65) ACHESTAT3CYP2C19ALOX5LMNA
SCHEMBL12883156 1.00 ACHE (0.65) ACHESTAT3CYP2C19ALOX5LMNA
SCHEMBL988029 0.86 ACHE (0.47) ACHESTAT3CYP2C19FFAR1GAA
SCHEMBL12883299 0.84 ACHE (0.46) ACHESTAT3CYP2C19LMNAALDH1A1
SCHEMBL6223098 0.82 ALOX5 (0.51) ACHESTAT3ALOX5FFAR1EPHX1
SCHEMBL12883179 0.82 POLB (0.47) ACHESTAT3ALDH1A1FFAR1HTT
SCHEMBL14236756 0.82 PARP10 (0.47) ACHESTAT3CYP2C19ALDH1A1FFAR1
SCHEMBL1225215 0.82 GABBR2 (0.47) ACHECYP2C19LMNAFFAR1POLB
SCHEMBL14966967 0.82 ALOX5 (0.51) ACHESTAT3ALOX5FFAR1EPHX1
SCHEMBL25152959 0.82 ACHE (0.67) ACHESTAT3CYP2C19ALOX5ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109152363-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-10-15 CN claimed
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 US disclosed
WO-2023165263-A1 PYRROLOTRIAZINONE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海科技大学 2023-09-07 WO disclosed
CN-109152363-B Molecules having pesticidal utility, and intermediates, compositions and methods related to these molecules 美国陶氏益农公司 2021-10-15 CN disclosed
WO-2017165304-A2 Pd(II)-CATALYZED ENANTIOSELECTIVE BETA-METHYLENE C(sp3)-H BOND ACTIVATION THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-28 WO disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
CN-101002738-A Slow release preparation containing tolbutamide LIU FENGMING (CN) 2007-07-25 CN 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 (4 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-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 ACHE 10/4885STAT3 615/4885CYP2C19 2111/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 ACHE 34/4885STAT3 799/4885CYP2C19 2921/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 ACHE 24/4885STAT3 466/4885CYP2C19 1831/4885
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, CTSA ACHE 27/4885STAT3 881/4885CYP2C19 2743/4885

“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.