SCHEMBL3498263

SCHEMBL3498263

[C-]#[N+]C1(C(=O)OCC)Cc2ccc(Br)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TDP2 O95551 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
BRD4 O60885 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
S1PR4 O95977 1/20 0.34
LMNA P02545 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SLC22A1 O15245 1/20 0.33

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
SCHEMBL3340264 0.84 OPRM1 (0.41) ALDH1A1BRD4MAPTMEN1LMNA
SCHEMBL3309906 0.83 BRD4 (0.48) ALDH1A1GAABRD4MAPTMEN1
SCHEMBL30801479 0.83 BRD4 (0.48) ALDH1A1GAABRD4MAPTMEN1
SCHEMBL795467 0.82 ESR1 (0.40) ALDH1A1TDP2BRD4MAPTMEN1
SCHEMBL31537527 0.82 ESR1 (0.40) ALDH1A1TDP2BRD4MAPTMEN1
SCHEMBL13328349 0.81 OPRM1 (0.36) ALDH1A1KDM4EBRD4MEN1KMT2A
SCHEMBL30663973 0.80 TDP2 (0.40) ALDH1A1TDP2KDM4EBRD4MAPT
SCHEMBL3310487 0.80 TDP2 (0.40) ALDH1A1TDP2KDM4EBRD4MAPT
SCHEMBL3305054 0.74 OPRM1 (0.35) ALDH1A1KDM4EBRD4MEN1KMT2A
SCHEMBL10148342 0.73 GABRA1 (0.38) ALDH1A1TDP2BRD4MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 ALDH1A1 3047/4885TDP2 4872/4885KDM4E 2059/4885

“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.