SCHEMBL6405512

SCHEMBL6405512

C[SiH](C)OC1CCC(C(C)(C)C)CCCC1(O)C#Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.36
MMP2 P08253 1/20 0.35
MMP13 P45452 1/20 0.35
RAB9A P51151 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
SRD5A2 P31213 1/20 0.33
MAOB P27338 1/20 0.33
FFAR1 O14842 1/20 0.33
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL6405514 0.69 FDFT1 (0.39) FDFT1RAB9APTPN1PTPN6PTPN11
SCHEMBL6398447 0.68 KMT2A (0.33) HRH3KMT2A
SCHEMBL6399785 0.63 OPRM1 (0.32) SLC6A2KMT2A
SCHEMBL14786201 0.62 MAOB (0.71) FDFT1RAB9APTPN1PTPN6PTPN11
SCHEMBL13597764 0.61 MAOB (0.57) FDFT1RAB9APTPN1PTPN6PTPN11
SCHEMBL30215686 0.60 LMNA (0.45) MMP2MMP13RAB9AMAOBNR4A1
SCHEMBL10411991 0.59 MAOB (0.67) FDFT1RAB9APTPN1PTPN6PTPN11
SCHEMBL16553890 0.58 LMNA (0.56) MMP2MMP13RAB9AMAOBNR4A1
SCHEMBL1516029 0.58 LMNA (0.51) FDFT1MMP2MMP13RAB9AMAOB
SCHEMBL1516039 0.58 MMP2 (0.51) MMP2MMP13RAB9AMAOBLMNA

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 1167/4885MMP2 829/4885MMP13 1007/4885

“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.