SCHEMBL3559984

SCHEMBL3559984

CCOC(=O)/C(=C/NCCCc1ccccc1)C(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
EPHX2 P34913 2/20 0.44
CDC25B P30305 2/20 0.44
SCN5A Q14524 1/20 0.43
SCN2A Q99250 1/20 0.43
HPGD P15428 2/20 0.42
GPR52 Q9Y2T5 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
DRD4 P21917 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL3559986 1.00 KDM4E (0.52) KDM4EALDH1A1EPHX2CDC25BSCN5A
SCHEMBL3557961 0.97 KDM4E (0.48) KDM4EALDH1A1EPHX2CDC25BSCN5A
SCHEMBL3557963 0.97 KDM4E (0.48) KDM4EALDH1A1EPHX2CDC25BSCN5A
SCHEMBL3565370 0.94 ALDH1A1 (0.46) KDM4EALDH1A1CDC25BSCN5ASCN2A
SCHEMBL3565366 0.94 ALDH1A1 (0.46) KDM4EALDH1A1CDC25BSCN5ASCN2A
SCHEMBL3562547 0.88 CDC25B (0.48) KDM4EALDH1A1CDC25BHPGDCA12
SCHEMBL3562552 0.88 CDC25B (0.48) KDM4EALDH1A1CDC25BHPGDCA12
SCHEMBL3572161 0.87 CNR2 (0.47) KDM4EALDH1A1CDC25BHPGDCA12
SCHEMBL3572160 0.87 CNR2 (0.47) KDM4EALDH1A1CDC25BHPGDCA12
SCHEMBL5174836 0.87 ALDH1A1 (0.52) KDM4EALDH1A1EPHX2SCN5ASCN2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US claimed
US-7825278-B2 Substituted enaminones, their derivatives and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-11-02 US disclosed
US-20080064748-A1 Substituted enaminones, their derivatives and uses thereof OXFORD FINANCE CORPORATION 2008-03-13 US 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-20080064748-A1 Substituted enaminones, their derivatives and uses thereof GABRB2, GABRB1, GABRB3 KDM4E 2424/4885ALDH1A1 423/4885EPHX2 2398/4885

“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.