SCHEMBL3207839

SCHEMBL3207839

COc1ccc(C(C)(C)C)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KLF10 Q13118 1/20 0.46
HTT P42858 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK14 Q16539 1/20 0.42
ATM Q13315 1/20 0.41
TACR1 P25103 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL14297626 0.85 PDCD1 (0.47) MEN1KMT2AKLF10HTTPDE4A
SCHEMBL4064597 0.84 HDAC3 (0.49) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL30002156 0.84 HDAC3 (0.49) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7854190 0.83 KMT2A (0.47) MEN1KMT2AHTTATMTACR1
SCHEMBL17224473 0.82 CASP1 (0.42) KLF10PDE4APDE4BPDE4CPDE4D
SCHEMBL195601 0.81 KMT2A (0.46) MEN1KMT2AHTTL3MBTL1CYP2D6
SCHEMBL31265270 0.81 ATM (0.44) MEN1KMT2AHTTL3MBTL1ATM
SCHEMBL13890597 0.81 ATM (0.44) MEN1KMT2AHTTL3MBTL1ATM
SCHEMBL8864343 0.81 PON1 (0.43) MEN1KMT2AHTTL3MBTL1CYP2D6
SCHEMBL31265271 0.81 ATM (0.44) MEN1KMT2AHTTL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 US disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
US-20200055823-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2020-02-20 US disclosed
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 US disclosed
CN-106565871-B The preparation method of catalyst component for olefin and preparation method thereof and polyethylene 中国石油化工股份有限公司 2019-07-30 CN disclosed
CN-110035993-A SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS 艾伯维公司 2019-07-19 CN disclosed
US-20190077762-A1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2019-03-14 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
EP-1940788-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2008-07-09 EP 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-20080081809-A1 Novel Compounds KUDOS PHARMACEUTICALS LIMITED (GB) 2008-04-03 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
WO-2006100208-A9 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES ORGANON NV (NL) 2007-11-22 WO disclosed
WO-2006100208-A1 1-BENZYLINDOLE-2-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2006-09-28 WO disclosed
US-5653914-A Electroluminescent device comprising a chromophoric polymeric composition CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 1997-08-05 US disclosed
WO-1994015441-A1 ELECTROLUMINESCENT DEVICE COMPRISING A CHROMOPHORIC POLYMERIC COMPOSITION CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 1994-07-07 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 (12 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-20200055823-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MEN1 4633/4885KMT2A 3699/4885KLF10 2505/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4705/4885KMT2A 4241/4885KLF10 3059/4885
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 MEN1 4355/4885KMT2A 3156/4885KLF10 2165/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4705/4885KMT2A 4241/4885KLF10 3059/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4705/4885KMT2A 4241/4885KLF10 3059/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4705/4885KMT2A 4241/4885KLF10 3059/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4705/4885KMT2A 4241/4885KLF10 3059/4885
US-20190077762-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 MEN1 4651/4885KMT2A 3807/4885KLF10 2485/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4709/4885KMT2A 3498/4885KLF10 3131/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 MEN1 4648/4885KMT2A 3191/4885KLF10 2347/4885
US-20080081809-A1 Novel Compounds SLC10A1, ABCB11, PKD1 MEN1 64/4885KMT2A 3079/4885KLF10 2319/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MEN1 2836/4885KMT2A 3633/4885KLF10 2544/4885

“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.