SCHEMBL6399434

SCHEMBL6399434

CC(C)(C)[Si](C)(C)OC1CCC=C(Cc2ccccn2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
PDE4D Q08499 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CNR2 P34972 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
SYK P43405 1/20 0.30
LMNA P02545 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL6399428 1.00 ALDH1A1 (0.33) ALDH1A1PDE4DHRH3CNR2L3MBTL1
SCHEMBL6399810 0.83 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL6399811 0.83 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL6398449 0.74 CYP46A1 (0.37) ALDH1A1PDE4DHRH3MEN1HPGD
SCHEMBL28444367 0.73 L3MBTL1 (0.45) ALDH1A1HRH3L3MBTL1LMNATAAR1
SCHEMBL6397918 0.71 NPC1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL6544010 0.70 HRH3 (0.41) ALDH1A1HRH3L3MBTL1LMNATAAR1
SCHEMBL6544004 0.70 HRH3 (0.41) ALDH1A1HRH3L3MBTL1LMNATAAR1
SCHEMBL329010 0.67 TRIM24 (0.32) ALDH1A1PDE4D
SCHEMBL10361551 0.67 SYK (0.43) ALDH1A1HRH3SYKLMNATAAR1

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 ALDH1A1 4117/4885PDE4D 2759/4885HRH3 84/4885

“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.