SCHEMBL4054418

SCHEMBL4054418

CCC12CC3(O)CC(CC)(C1)CC(C14CC5(O)CC(CC)(CC(CC)(C5)C1)C4)(C3)C2

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL4053885 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2573711 0.84 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4060278 0.78
SCHEMBL4062943 0.70 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17517761 0.69
SCHEMBL3843165 0.67
SCHEMBL4061350 0.67 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14837319 0.67 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Formaldehyde SCHEMBL22773513 0.66 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2571225 0.62 GRIN2D (0.52) 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 GRIN2D 113/4885GRIN3B 262/4885GRIN1 206/4885

“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.