SCHEMBL4855227

SCHEMBL4855227

COc1cc(Br)ccc1O[C@H]1CCN(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCR5 P51681 1/20 0.44
PDE4B Q07343 8/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CA P42336 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL14862196 0.92 PDE4B (0.47) KDM4EALDH1A1TDP1PDE4BPDE4A
SCHEMBL15514844 0.85 PDE4B (0.47) ALDH1A1PDE4BPIK3CDPIK3CAPIK3CB
SCHEMBL20425163 0.84 FPR2 (0.46) KDM4EALDH1A1PIK3CDEGFR
SCHEMBL15514870 0.81 NPSR1 (0.48) ALDH1A1
SCHEMBL14862794 0.80 UTS2R (0.45) KDM4ETDP1
SCHEMBL4199136 0.78 ALDH1A1 (0.41) KDM4EALDH1A1TDP1CCR5LMNA
SCHEMBL18152326 0.77 ALDH1A1 (0.47) KDM4EALDH1A1LMNA
SCHEMBL18152325 0.77 ALDH1A1 (0.47) KDM4EALDH1A1LMNA
SCHEMBL18152417 0.77 ALDH1A1 (0.47) KDM4EALDH1A1LMNA
SCHEMBL29067463 0.77 POLB (0.47) ALDH1A1CCR5

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 KDM4E 1406/4885ALDH1A1 3257/4885TDP1 1384/4885

“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.