SCHEMBL6403374

SCHEMBL6403374

O=C1C=CCC(Cc2ccccc2)CC(O)C1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.41
PSEN2 P49810 7/20 0.41
APH1B Q8WW43 7/20 0.41
NCSTN Q92542 7/20 0.41
APH1A Q96BI3 7/20 0.41
PSENEN Q9NZ42 7/20 0.41
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SLC18A3 Q16572 1/20 0.38
GBA1 P04062 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 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
SCHEMBL6403368 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6398539 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6398544 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399482 0.79 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399488 0.79 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6397879 0.77 SLC18A3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6397886 0.77 SLC18A3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6399643 0.77 SLC18A3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6398925 0.74 OPRM1 (0.39) HTR2B
SCHEMBL16590793 0.74 GBA1 (0.50) SLC18A3GBA1MEN1KMT2A

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-6949585-B2 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI CO., LTD. (JP) 2005-09-27 US claimed
US-20040082805-A1 Cyclooctanone derivatives and cyclodecanone derivative, and use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-04-29 US claimed
EP-1375465-A9 CYCLOOCTANONE DERIVATIVE AND CYCLODECANONE DERIVATIVE, AND USE THEREOF Eisai Co., Ltd. (JP) 2004-04-14 EP claimed
EP-1375479-A1 PYRROLIDINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Eisai Co., Ltd. (JP) 2004-01-02 EP claimed
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 PSEN1 4364/4885PSEN2 4281/4885APH1B 2964/4885

“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.