SCHEMBL6378043

SCHEMBL6378043

C=Cc1ccc(OCCCC(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
LTA4H P09960 6/20 0.50
MAPT P10636 1/20 0.49
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PTPN1 P18031 1/20 0.47
PDK2 Q15119 1/20 0.46

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
SCHEMBL6338116 0.87 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL766897 0.86 MAPT (0.58) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL13933053 0.86 DGKA (0.53) HTT
SCHEMBL13933052 0.86 DGKA (0.53) HTT
SCHEMBL6937314 0.84 MEN1 (0.62) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL3466988 0.83 CYSLTR2 (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL6778438 0.83 GAA (0.62) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8981963 0.83 BRD4 (0.56) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL22362132 0.82 KMT2A (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT
SCHEMBL12549253 0.81 LTA4H (0.59) BRD4CYSLTR2CYSLTR1LTA4HMAPT

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-20050009797-A1 Androstane derivative having substituent in 7- abd 17--positions CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-13 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-20050009797-A1 Androstane derivative having substituent in 7- abd 17--positions NR5A1, CYP17A1, CYP19A1 BRD4 1230/4885CYSLTR2 1637/4885CYSLTR1 1258/4885

“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.