SCHEMBL6405514

SCHEMBL6405514

CC(C)(C)[Si](C)(C)OC1CCCC(O)(C#Cc2ccc(OCc3ccccc3)cc2)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAOB P27338 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FFAR1 O14842 1/20 0.35
FOXM1 Q08050 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
SCHEMBL6400406 0.77 OPRL1 (0.40)
SCHEMBL6405512 0.69 FDFT1 (0.36) FDFT1LMNAPTPN1PTPN6PTPN11
SCHEMBL13112943 0.68 OPRM1 (0.48) LMNASLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL6399788 0.67 OPRM1 (0.39) HTTSMN1; SMN2SLC6A2SLC6A3ALDH1A1
SCHEMBL5522119 0.67 LMNA (0.53) LMNAKMT2ASMN1; SMN2MAOBKDM4E
SCHEMBL6398449 0.67 CYP46A1 (0.37) KMT2AHRH3MEN1TP53ALDH1A1
SCHEMBL26077295 0.67 DGAT2 (0.40) HRH3
SCHEMBL23704760 0.66 THRB (0.33)
SCHEMBL3619822 0.65 DDB1 (0.40) ALDH1A1
SCHEMBL31086369 0.65 PRMT5 (0.42) FDFT1HIF1ARAB9ANPC1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US disclosed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US disclosed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP disclosed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP 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 (1 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-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof CCR1, CCL2, CCR5 FDFT1 1167/4885LMNA 3615/4885HTT 4574/4885

“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.