SCHEMBL4065062

SCHEMBL4065062

CC12CC3(C)CC(c4ccc(C#Cc5ccccc5)cc4)(C1)CC(C14CC5(C)CC(C)(CC(c6ccc(C#Cc7ccccc7)cc6)(C5)C1)C4)(C2)C3

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
MAPT P10636 1/20 0.36
GRM5 P41594 15/20 0.36
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4055656 0.89 EPHX2 (0.34) APPGRM5
SCHEMBL2187490 0.88 APP (0.36) APPMAPTGRM5KCNH2
SCHEMBL2763104 0.86 APP (0.32) APPMAPT
SCHEMBL2189042 0.85 CYP1A1 (0.35)
SCHEMBL4059740 0.84 PNMT (0.38)
SCHEMBL2763858 0.83 APP (0.38) APPMAPTGRM5KCNH2
SCHEMBL4061345 0.83
SCHEMBL5185591 0.80 APP (0.55) APPMAPTGRM5KCNH2CA12
SCHEMBL2188047 0.80 HDAC8 (0.31)
SCHEMBL2763053 0.80 RARB (0.37) APPMAPTGRM5

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 APP 2669/4885MAPT 3069/4885GRM5 224/4885

“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.