SCHEMBL16778358

SCHEMBL16778358

CC/C(=C\C(=O)O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
KDM4E B2RXH2 3/20 0.31
ATM Q13315 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL3288033 1.00 FFAR3 (0.36) FFAR3KDM4EATMALDH1A1TSHR
SCHEMBL2417578 0.81 FFAR3 (0.33) FFAR3
SCHEMBL962494 0.74
SCHEMBL962756 0.74
SCHEMBL17599061 0.73
SCHEMBL17599062 0.73
SCHEMBL22183725 0.70
SCHEMBL13679725 0.69
SCHEMBL20414286 0.69
SCHEMBL26317282 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150164872-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-06-18 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-20150164872-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM1A FFAR3 3702/4885KDM4E 19/4885ATM 2468/4885

“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.