SCHEMBL3320253

SCHEMBL3320253

CC(=O)CC1CC(C)CCC1=O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 7/20 0.56
MT-CO2 P00403 3/20 0.33
ALOX5 P09917 3/20 0.33
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30

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
SCHEMBL9924737 0.82 TLR4 (0.53) TLR4MT-CO2ALOX5
SCHEMBL6907551 0.79 TLR4 (0.47) TLR4MT-CO2ALOX5
SCHEMBL11085146 0.78 TLR4 (0.42) TLR4
SCHEMBL9190051 0.76 TLR4 (0.44) TLR4MT-CO2ALOX5AKR1C4AKR1C3
SCHEMBL3328784 0.76 ALDH1A1 (0.51) TLR4MT-CO2ALOX5
SCHEMBL1397437 0.75 NPC1 (0.45) TLR4
SCHEMBL11820023 0.74 TRPV1 (0.43) TLR4MT-CO2ALOX5
SCHEMBL1188324 0.73 NPC1 (0.46)
SCHEMBL3322059 0.72 MT-CO2 (0.43) TLR4MT-CO2ALOX5
SCHEMBL5199186 0.72 TLR4 (0.41) TLR4MT-CO2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-05-13 US disclosed
US-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-05-13 US disclosed
US-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-05-13 US disclosed
EP-2139472-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-01-06 EP disclosed
EP-2000176-A1 Tetrahydroindole derivatives as NADPH Oxidase inhibitors GenKyo Tex (CH) 2008-12-10 EP disclosed
EP-2000176-A1 Tetrahydroindole derivatives as NADPH Oxidase inhibitors GenKyo Tex (CH) 2008-12-10 EP disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 WO disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 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 (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-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS CYBB, NQO1, NOX4 TLR4 2984/4885MT-CO2 355/4885ALOX5 176/4885

“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.