SCHEMBL4057097

SCHEMBL4057097

CCCCC12CC3CC(CCCC)(C1)CC(C14CC5(CCCC)CC(CCCC)(CC(c6ccc(Br)cc6)(C5)C1)C4)(C3)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
RAD52 P43351 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL4054933 0.90 MEN1 (0.38) MEN1RAD52KMT2A
SCHEMBL4063013 0.88
SCHEMBL4056082 0.85
SCHEMBL4057051 0.85 MEN1 (0.46) MEN1RAD52KMT2AGRIN2DGRIN3B
SCHEMBL4061723 0.83
SCHEMBL8041683 0.83 MEN1 (0.42) MEN1RAD52KMT2ALMNA
SCHEMBL4055263 0.78
SCHEMBL4055305 0.76
SCHEMBL4062011 0.75 MEN1 (0.41) MEN1RAD52KMT2AGRIN2DGRIN3B
SCHEMBL4056661 0.74 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20090030248-A1 Ethynylphenylbiadamantane derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
EP-2014636-A1 Ethynylphenylbiadamantane derivatives Daicel Chemical Industries, Ltd. (JP) 2009-01-14 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-20090030248-A1 Ethynylphenylbiadamantane derivatives CHRNA5, CHRNE, ADRA1D MEN1 3925/4885RAD52 638/4885KMT2A 2586/4885

“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.