SCHEMBL909201

SCHEMBL909201

COC(=O)C(CCC(C)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 2/20 0.38
ACP3 P15309 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A4 P31645 1/20 0.36
TXNRD1 Q16881 1/20 0.36
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL908986 0.85 POLB (0.40) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL908987 0.83 CNR2 (0.41) CNR2SMN1; SMN2HPGDACP3POLB
SCHEMBL195445 0.77 CNR2 (0.41) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL8917002 0.76 ALDH1A1 (0.44) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL8914226 0.75 CNR2 (0.46) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL30474559 0.74 CNR2 (0.44) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL21659215 0.74 CNR2 (0.44) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL8233462 0.74 CNR2 (0.44) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL28068541 0.74 CNR2 (0.44) CNR2SMN1; SMN2HPGDGAAACP3
SCHEMBL25956026 0.73 ALDH1A1 (0.36) GAAKDM4EATMCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 CNR2 232/4885SMN1; SMN2 1063/4885HPGD 2105/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 CNR2 347/4885SMN1; SMN2 288/4885HPGD 1084/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CNR2 232/4885SMN1; SMN2 420/4885HPGD 1319/4885

“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.