SCHEMBL4059129

SCHEMBL4059129

Cc1cc(Br)ccc1C12CC3CC(C1)CC(C14CC5CC(CC(c6ccc(Br)cc6C)(C5)C1)C4)(C3)C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAD52 P43351 1/20 0.38
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL4058589 0.94 KMT2A (0.35) KMT2AMEN1RAD52
SCHEMBL4055570 0.86 KDM1A (0.30) KMT2AMEN1RAD52
SCHEMBL26272370 0.85 MEN1 (0.36) KMT2AMEN1RAD52
SCHEMBL4063025 0.76 KMT2A (0.32) KMT2AMEN1RAD52
SCHEMBL4054774 0.75 GRIN2D (0.30) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4053123 0.74 KMT2A (0.31) KMT2AMEN1RAD52
SCHEMBL2087563 0.73 CNR2 (0.43) KMT2AMEN1
SCHEMBL4062507 0.73 MEN1 (0.40) KMT2AMEN1RAD52GRIN2DGRIN3B
SCHEMBL4056212 0.72 GRIN2D (0.35) KMT2AMEN1RAD52GRIN2DGRIN3B
SCHEMBL12257921 0.72 KDM1A (0.37) KMT2AMEN1RAD52

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 KMT2A 2586/4885MEN1 3925/4885RAD52 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.