SCHEMBL406202

SCHEMBL406202

CC(C)(C)C1COc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
LTA4H P09960 3/20 0.44
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
MTNR1A P48039 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL19565507 1.00 NISCH (0.44) NISCHLTA4HCHRNB4CHRNA3CHRNB2
SCHEMBL12610431 1.00 NISCH (0.44) NISCHLTA4HCHRNB4CHRNA3CHRNB2
SCHEMBL10938593 0.83 SMN1; SMN2 (0.55) LTA4HHTT
SCHEMBL23646850 0.83 SMN1; SMN2 (0.55) LTA4HHTT
SCHEMBL1628134 0.83 SMN1; SMN2 (0.55) LTA4HHTT
SCHEMBL406079 0.82 POLB (0.47) POLB
SCHEMBL18469502 0.81 ITGB2 (0.46) LTA4HCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18469558 0.78 ITGB2 (0.43) LTA4HCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL19393069 0.78 CA2 (0.46)
SCHEMBL5274470 0.77 NISCH (0.46) NISCHLTA4HPOLBMTNR1AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230134821-A1 MYC-MAX INHIBITOR COMPOUND THERAPEUTICS FOR CANCER TREATMENT, METHODS AND USES ASSOCIATED THEREWITH THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-05-04 US disclosed
US-20220213126-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES JOHN WAYNE CANCER INSTITUTE (US) 2022-07-07 US disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9914724-B2 C-aryl glycosid derivatives, pharmaceutical composition, preparation process and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-03-13 US disclosed
US-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS JANSSEN PHARMACEUTICA NV (BE) 2007-07-05 US disclosed
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-05 US disclosed
US-20070099875-A1 Aspartyl protease inhibitors SCHERING CORPORATION 2007-05-03 US disclosed
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents SCHERING CORPORATION 2007-03-29 US disclosed
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors SCHERING CORPORATION 2006-12-14 US disclosed
EP-0429535-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-05 EP disclosed
EP-0359400-A1 Fungicidal benzodioxane amine derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-21 EP disclosed
WO-1990002122-A1 FUNGICIDAL BENZODIOXANE AMINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-08 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 (13 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-20070155824-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR DISEASE MODIFICATION / EPILEPTOGENESIS STS, GABRB2, SULT2A1 NISCH 1811/4885LTA4H 1141/4885CHRNB4 1217/4885
US-20070155827-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF DEPRESSION SDHA, SQOR, SDHB NISCH 616/4885LTA4H 2943/4885CHRNB4 636/4885
US-20220213126-A1 SMALL MOLECULE AUTOPHAGY INDUCERS FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES TFEB, SQSTM1, BECN1 NISCH 3569/4885LTA4H 4472/4885CHRNB4 2376/4885
US-20070072852-A1 2-(Imino-),3,6-(dimethyl-),4-(oxo=),6-(3-(methoxy-)phenyl)-(1,4-phenylene)-perhydropyrimidine; aspartyl protease inhibitors; cardiovascular diseases; cognition activators; neurodegenerative diseases; viricides; HIV; enzyme inhibitors of plasmepins, cathepsin D and protozoal enzymes; hypotensive agents CTSD, PRSS1, CTSZ NISCH 2747/4885LTA4H 2674/4885CHRNB4 3574/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NISCH 3172/4885LTA4H 3506/4885CHRNB4 4688/4885
US-20060281729-A1 Macrocyclic heterocyclic aspartyl protease inhibitors CHRM1, CHRM2, CHRM5 NISCH 4205/4885LTA4H 548/4885CHRNB4 260/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 NISCH 459/4885LTA4H 337/4885CHRNB4 4842/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS NISCH 3172/4885LTA4H 3506/4885CHRNB4 4688/4885
US-20070155826-A1 USE OF BENZO-FUSED HETEROCYLE SULFAMIDE DERIVATIVES FOR THE TREATMENT OF MANIA AND BIPOLAR DISORDER GABBR1, GABBR2, SQOR NISCH 349/4885LTA4H 3232/4885CHRNB4 495/4885
US-20070099875-A1 Aspartyl protease inhibitors PRSS1, PRSS3, TMPRSS11D NISCH 3754/4885LTA4H 968/4885CHRNB4 764/4885
US-20230134821-A1 MYC-MAX INHIBITOR COMPOUND THERAPEUTICS FOR CANCER TREATMENT, METHODS AND USES ASSOCIATED THEREWITH MYC, MYCBP, MAX NISCH 2522/4885LTA4H 4725/4885CHRNB4 2552/4885
US-20070155821-A1 USE OF BENZO-FUSED HETEROCYCLE SULFAMIDE DERIVATIVES FOR LOWERING LIPIDS AND LOWERING BLOOD GLUCOSE LEVELS GPR119, LIPC, GLP1R NISCH 647/4885LTA4H 1575/4885CHRNB4 4707/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS NISCH 3172/4885LTA4H 3506/4885CHRNB4 4688/4885

“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.