SCHEMBL16551963

SCHEMBL16551963

Nc1ccc(CC2C(=O)OC2CCc2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.83
CTRB1 P17538 1/20 0.57
PLA2G6 O60733 2/20 0.50
PLA2G4A P47712 1/20 0.50
MAOB P27338 4/20 0.47
MAOA P21397 2/20 0.47
F2 P00734 2/20 0.43
PRSS1 P07477 2/20 0.43
LYPLA1 O75608 1/20 0.38
LYPLA2 O95372 1/20 0.38
ABHD16A O95870 1/20 0.38
GSK3B P49841 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
GFER P55789 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL16551964 0.91 FASN (0.68) FASNCTRB1PLA2G6PLA2G4AMAOB
SCHEMBL10073526 0.91 FASN (1.00) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL10083649 0.91 FASN (1.00) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL16551923 0.86 FASN (0.83) FASNCTRB1PLA2G6PLA2G4AMAOB
SCHEMBL15012874 0.81 FASN (0.81) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL15012876 0.81 FASN (0.81) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL16551935 0.81 FASN (0.53) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL28541028 0.81 FASN (0.79) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL31138044 0.77 FASN (0.73) FASNCTRB1PLA2G6PLA2G4AF2
SCHEMBL17973346 0.77 FASN (0.73) FASNCTRB1PLA2G6PLA2G4AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11376242-B2 Methods and compositions for treating obesity and/or diabetes and for identifying candidate treatment agents THE J. DAVID GLADSTONE INSTITUTES (US) 2022-07-05 US disclosed
US-20190000817-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY AND/OR DIABETES AND FOR IDENTIFYING CANDIDATE TREATMENT AGENTS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE 2019-01-03 US disclosed
US-20160221977-A1 ANTIBACTERIAL BETA-LACTONES, AND METHODS OF IDENTIFICATION, MANUFACTURE AND USE BROWN UNIVERSITY (US) 2016-08-04 US disclosed
US-20160221977-A1 ANTIBACTERIAL BETA-LACTONES, AND METHODS OF IDENTIFICATION, MANUFACTURE AND USE BROWN UNIVERSITY (US) 2016-08-04 US disclosed
WO-2015031300-A1 ANTIBACTERIAL BETA-LACTONES, AND METHODS OF IDENTIFICATION, MANUFACTURE AND USE BROWN UNIVERSITY (US) 2015-03-05 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 (3 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-11376242-B2 Methods and compositions for treating obesity and/or diabetes and for identifying candidate treatment agents PNLIP, LIPC, IAPP FASN 853/4885CTRB1 32/4885PLA2G6 1875/4885
US-20160221977-A1 ANTIBACTERIAL BETA-LACTONES, AND METHODS OF IDENTIFICATION, MANUFACTURE AND USE CBR1, CBR3, NR2C2 FASN 1268/4885CTRB1 1388/4885PLA2G6 4292/4885
US-20190000817-A1 METHODS AND COMPOSITIONS FOR TREATING OBESITY AND/OR DIABETES AND FOR IDENTIFYING CANDIDATE TREATMENT AGENTS PNLIP, LIPC, IAPP FASN 853/4885CTRB1 32/4885PLA2G6 1875/4885

“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.