SCHEMBL6491379

SCHEMBL6491379

CCOC(=O)CCCOc1cc(C)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38
PDK2 Q15119 2/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
P2RY12 Q9H244 1/20 0.36
CYP1A2 P05177 1/20 0.35
LTA4H P09960 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
FAAH O00519 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLA2G2A P14555 1/20 0.34

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
SCHEMBL6498843 0.83 MAPT (0.40) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL6497458 0.78 BRD4 (0.50) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL6490287 0.75 HDAC1 (0.39) BRD4L3MBTL1
SCHEMBL6492339 0.72 BRD4 (0.46) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL6491695 0.72 HPGD (0.48) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL7065570 0.70 MCL1 (0.40) CYP1A2L3MBTL1
SCHEMBL7065576 0.70 MCL1 (0.40) CYP1A2L3MBTL1
SCHEMBL4389091 0.69 BRD4 (0.53) BRD4CYSLTR2CYSLTR1PDK2PDE3B
SCHEMBL8409294 0.69 BRD4 (0.45) BRD4CYSLTR2CYSLTR1PDK2CYP1A2
SCHEMBL21533500 0.69 BRD4 (0.64) BRD4CYSLTR2CYSLTR1PDK2PDE3B

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD BRD4 130/4885CYSLTR2 2679/4885CYSLTR1 2525/4885

“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.