SCHEMBL6400404

SCHEMBL6400404

C[SiH](C)OC1CCC(C(C)(C)C)CCCC1(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.35
LMNA P02545 4/20 0.33
GAA P10253 3/20 0.33
TRPA1 O75762 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
RECQL P46063 1/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
AQP3 Q92482 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
AQP1 P29972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CDC25B P30305 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL6398447 0.84 KMT2A (0.33) GAAALDH1A1KMT2AMEN1RECQL
SCHEMBL6405512 0.78 FDFT1 (0.36) LMNAKMT2AKDM4E
SCHEMBL6399785 0.71 OPRM1 (0.32) OPRL1KMT2AMEN1MAPTOPRM1
SCHEMBL5348282 0.64 LMNA (0.50) OPRL1LMNAGAATRPA1ALDH1A1
SCHEMBL6442510 0.64 OPRM1 (0.45) OPRL1TRPA1OPRM1OPRK1
SCHEMBL8390444 0.63 TRPA1 (0.39) TRPA1
SCHEMBL8390450 0.63 TRPA1 (0.39) TRPA1
SCHEMBL11554590 0.61 MAOA (0.43) OPRL1LMNATRPA1ALDH1A1KDM4E
SCHEMBL11465022 0.60 SLC6A9 (0.45) LMNATRPA1ALDH1A1SLC6A9
SCHEMBL6442514 0.60 OPRM1 (0.40) OPRL1LMNAGAATRPA1MAPT

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 OPRL1 1468/4885LMNA 3615/4885GAA 3933/4885

“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.