SCHEMBL762706

SCHEMBL762706

CC(C)(C)OC(=O)C1CCCC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BTK Q06187 1/20 0.37
HPGD P15428 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1139839 0.89 MAPK1 (0.40) THRBMAPK1HRH3BTKHPGD
SCHEMBL10058228 0.89 MAPK1 (0.40) THRBMAPK1HRH3BTKHPGD
SCHEMBL28294668 0.88 HRH3 (0.40) THRBMAPK1HRH3BTKHPGD
SCHEMBL28680902 0.84 THRB (0.34) THRBMAPK1HRH3BTKHPGD
SCHEMBL1700624 0.81 THRB (0.53) THRBKMT2ASMN1; SMN2
SCHEMBL3577499 0.81 THRB (0.53) THRBKMT2ASMN1; SMN2
SCHEMBL321152 0.81 MAPK1 (0.44) MAPK1HRH3BTKHPGDNFKB1
SCHEMBL1700349 0.79 HRH3 (0.44) MAPK1HRH3BTKHPGDDDB1
Ethylene SCHEMBL6587621 0.79 THRB (0.50) THRBKMT2ASMN1; SMN2
SCHEMBL1690233 0.78 HRH3 (0.49) MAPK1HRH3BTKHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638883-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-04-09 CN disclosed
EP-2758051-B1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2758377-B1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2017-08-02 EP disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-9493441-B2 Acyclic cyanoethylpyrazoles as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
EP-2758050-B1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-08-31 EP disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-9328099-B2 Cyanomethylpyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-03 US disclosed
US-8962608-B2 Cycloalkylnitrile pyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-8962608-B2 Cycloalkylnitrile pyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US disclosed
US-20140243309-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
US-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
WO-2013040863-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043964-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
WO-2013043962-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-03-28 WO disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 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 (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-20140228358-A1 ACYCLIC CYANOETHYLPYRAZOLES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 THRB 2917/4885MAPK1 85/4885HRH3 788/4885
US-20140243309-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 THRB 2605/4885MAPK1 122/4885HRH3 620/4885
US-20140228348-A1 CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 THRB 3214/4885MAPK1 129/4885HRH3 675/4885

“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.