SCHEMBL4065803

SCHEMBL4065803

OC1(O)C2CC3CC(C2)CC1(C12CC4CC(CC(C4)C1)C2)C3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
STAT6 P42226 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
SLC47A1 Q96FL8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GAA P10253 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
SCHEMBL546365 0.72 GRIN2D (0.35) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL3841485 0.71 SLC22A2 (0.31) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL29704491 0.71 LMNA (0.42) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL2710253 0.70 EPHX2 (0.38) GAA
SCHEMBL963771 0.66 GRIN2D (0.50) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL10574918 0.66 GRIN2D (0.38) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL4054840 0.64 SLC22A2 (0.30) SLC22A2SLC22A1GRIN2DGRIN3BLMNA
SCHEMBL5672668 0.64
SCHEMBL28699821 0.64 THRB (0.36) TSHRGAA
SCHEMBL23333268 0.60 PKM (0.48) SLC22A2SLC22A1GRIN2DGRIN3BLMNA

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 SLC22A2 2393/4885SLC22A1 2474/4885GRIN2D 113/4885

“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.