SCHEMBL6403390

SCHEMBL6403390

O=C(OC1CC/C=C\C(=O)C(O)C(O)CC1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA7 P36544 4/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
GAA P10253 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6403403 1.00 MEN1 (0.47) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL6403398 1.00 MEN1 (0.47) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL6399653 0.85 STS (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6399650 0.85 STS (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6399655 0.85 STS (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL6396693 0.80 ALDH1A1 (0.39) MEN1KMT2AGAAPOLBLMNA
SCHEMBL6396697 0.80 ALDH1A1 (0.39) MEN1KMT2AGAAPOLBLMNA
SCHEMBL6396690 0.80 ALDH1A1 (0.39) MEN1KMT2AGAAPOLBLMNA
SCHEMBL6399210 0.79 MCL1 (0.48) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL6398196 0.78 CHRNA7 (0.47) MEN1KMT2ACHRNA7HTR3EHTR3B

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 MEN1 4186/4885KMT2A 4379/4885CHRNA7 1452/4885

“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.