SCHEMBL7848211

SCHEMBL7848211

COc1c(C)cc(C(C)(C)C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
HTR1D P28221 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTR1B P28222 1/20 0.38
ELANE P08246 1/20 0.36
CD69 Q07108 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL21659848 0.87 POLB (0.39) POLBHTR1DGABRA1GABRB2ACHE
SCHEMBL12024914 0.86 ACHE (0.48) POLBHTR1DACHEALDH1A1TP53
SCHEMBL13688744 0.86 ALDH1A1 (0.42) POLBHTR1DGABRA1GABRB2ACHE
SCHEMBL12401752 0.84 POLB (0.40) POLBHTR1DGABRA1GABRB2ACHE
SCHEMBL12705247 0.84 POLB (0.50) POLBHTR1DGABRA1GABRB2ACHE
SCHEMBL11259909 0.84 CA2 (0.43) POLBHTR1DGABRA1GABRB2ACHE
SCHEMBL12325400 0.84 ESR1 (0.39) POLBACHEALDH1A1TSHRTDP1
SCHEMBL12774443 0.81 POLB (0.38) POLBHTR1DGABRA1GABRB2ACHE
SCHEMBL13452244 0.81 DHFR (0.41) POLBHTR1DALDH1A1HTR1BELANE
SCHEMBL13843683 0.81 POLB (0.38) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-04-27 US disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 US disclosed
US-20170342088-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-11-30 US disclosed
WO-2017108737-A1 1-(3-TERT-BUTYL-PHENYL)-3-(4-([1,2,4]TRIAZOLO[4,3-A]PYRIDIN-6-YLOXY)-1,2,3,4-TETRAHYDRO- NAPHTHALEN-1-YL)-UREA DERIVATIVES AND THEIR USE AS P38 MAPK INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-29 WO disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 US disclosed
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2009-06-04 US disclosed
US-20090005391-A1 Tricyclo Substituted Amides PROSIDION LIMITED (GB) 2009-01-01 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
EP-1867646-A1 Cytokine inhibitors Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2007-12-19 EP disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US 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 (14 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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-20090005391-A1 Tricyclo Substituted Amides GPR119, SLC5A2, SLC5A1 POLB 1935/4885HTR1D 3986/4885GABRA1 3053/4885
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS ULK1, ULK2, ULK3 POLB 1890/4885HTR1D 3735/4885GABRA1 2254/4885
US-20170342088-A1 NOVEL ULK1 INHIBITORS AND METHODS USING SAME ULK1, ULK2, ULK3 POLB 1645/4885HTR1D 4221/4885GABRA1 2327/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 POLB 2585/4885HTR1D 1737/4885GABRA1 3045/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 POLB 3945/4885HTR1D 2720/4885GABRA1 4356/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2480/4885HTR1D 3709/4885GABRA1 865/4885
US-20090143381-A1 MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2462/4885HTR1D 3903/4885GABRA1 710/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 POLB 3767/4885HTR1D 1901/4885GABRA1 699/4885

“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.