SCHEMBL6396647

SCHEMBL6396647

O=C1/C=C\CCC(Cc2ccccn2)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4D Q08499 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
EPHX2 P34913 1/20 0.35
BRS3 P32247 1/20 0.34
GLS O94925 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL6396653 1.00 HPGD (0.41) HPGDRECQLMEN1KMT2APDE4D
SCHEMBL6396650 1.00 HPGD (0.41) HPGDRECQLMEN1KMT2APDE4D
SCHEMBL6400001 0.84 HPGD (0.40) HPGDRECQLMEN1KMT2APDE4D
SCHEMBL6399998 0.84 HPGD (0.40) HPGDRECQLMEN1KMT2APDE4D
SCHEMBL6398671 0.82 HPGD (0.48) HPGDRECQLMEN1KMT2APDE4D
SCHEMBL6398527 0.80 GBA1 (0.42) ALDH1A1
SCHEMBL6399646 0.80 GBA1 (0.42) ALDH1A1
SCHEMBL6399644 0.80 GBA1 (0.42) ALDH1A1
SCHEMBL8911524 0.79 HPGD (0.55) HPGDRECQLMEN1KMT2ASMN1; SMN2
SCHEMBL6399683 0.78 HPGD (0.46) HPGDRECQLMEN1KMT2APDE4D

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 HPGD 163/4885RECQL 3049/4885MEN1 4186/4885

“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.