SCHEMBL4066101

SCHEMBL4066101

Cc1c(Br)cc(C23CC4CC(C2)CC(C25CC6CC(CC(C6)C2)C5)(C4)C3)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
RAD52 P43351 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.31
PGR P06401 1/20 0.31
HSD11B1 P28845 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL4061747 0.97 MEN1 (0.37) MEN1KMT2ARAD52GRIN2DGRIN3B
SCHEMBL4061612 0.91 MEN1 (0.34) MEN1KMT2ARAD52GRIN2DGRIN3B
SCHEMBL4065402 0.82
SCHEMBL4055427 0.82 MEN1 (0.41) MEN1KMT2ARAD52GRIN2DGRIN3B
SCHEMBL4053123 0.81 KMT2A (0.31) MEN1KMT2ARAD52
SCHEMBL4062507 0.77 MEN1 (0.40) MEN1KMT2ARAD52GRIN2DGRIN3B
SCHEMBL4063025 0.77 KMT2A (0.32) MEN1KMT2ARAD52
SCHEMBL4065557 0.76 MEN1 (0.59) MEN1KMT2ARAD52GRIN2DGRIN3B
SCHEMBL4053124 0.73 MEN1 (0.39) MEN1KMT2ARAD52GRIN2DGRIN3B
SCHEMBL4058572 0.73

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 3925/4885KMT2A 2586/4885RAD52 638/4885

“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.