SCHEMBL6404794

SCHEMBL6404794

CCOc1cccc(C2CCCCCCC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GPR174 Q9BXC1 1/20 0.42
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
GID4 Q8IVV7 1/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL11534052 0.99 SMN1; SMN2 (0.46) SMN1; SMN2HPGDRAB9AALDH1A1KDM4E
SCHEMBL4128714 0.85 DDB1 (0.57) RAB9ADDB1CRBNGID4MAPT
SCHEMBL182434 0.83 DDB1 (0.58) RAB9ADDB1CRBNGID4
SCHEMBL7209583 0.79 ALDH1A1 (0.54) SMN1; SMN2HPGDALDH1A1KDM4EGPR174
SCHEMBL317559 0.79 GID4 (0.63) ALDH1A1DDB1CRBNGID4
SCHEMBL10534964 0.78 HPGD (0.51) SMN1; SMN2HPGDRAB9AALDH1A1KDM4E
SCHEMBL21452545 0.77 ADCYAP1R1 (0.47) DDB1CRBNGID4
SCHEMBL11060295 0.75 CYP19A1 (0.44) RAB9AALDH1A1TDP1MAPTTP53
SCHEMBL30472928 0.73 SLC5A2 (0.54)
SCHEMBL12251532 0.73 TP53 (0.52) SMN1; SMN2HPGDRAB9AALDH1A1KDM4E

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 SMN1; SMN2 4655/4885HPGD 163/4885RAB9A 4319/4885

“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.