SCHEMBL4054643

SCHEMBL4054643

Brc1ccc(C23CC4CC(c5ccc(Br)cc5)(C2)CC(C25CC6CC(c7ccc(Br)cc7)(CC(c7ccc(Br)cc7)(C6)C2)C5)(C4)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAD52 P43351 1/20 0.47
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
PGR P06401 2/20 0.35
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
EPHX2 P34913 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 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
SCHEMBL4061356 0.92 MEN1 (0.56) MEN1KMT2ARAD52ALDH1A1LMNA
SCHEMBL21382098 0.83 MEN1 (0.51) MEN1KMT2ARAD52ALDH1A1LMNA
SCHEMBL3845870 0.81 ESR1 (0.43) MEN1KMT2AALDH1A1LMNAPGR
SCHEMBL4058561 0.81 MEN1 (0.31) MEN1KMT2ARAD52
SCHEMBL4065557 0.80 MEN1 (0.59) MEN1KMT2ARAD52ALDH1A1LMNA
SCHEMBL2710962 0.80 GRIN2D (0.50) ALDH1A1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL14804287 0.80 MEN1 (0.68) MEN1KMT2ARAD52ALDH1A1LMNA
SCHEMBL3179232 0.78 MEN1 (0.45) MEN1KMT2ARAD52ALDH1A1LMNA
SCHEMBL3841412 0.78 ESR1 (0.42) MEN1KMT2AALDH1A1LMNAPGR
SCHEMBL4059726 0.77 MEN1 (0.37) MEN1KMT2ARAD52LMNAGRIN2D

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 4 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
US-20090030248-A1 Ethynylphenylbiadamantane derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-01-29 US disclosed
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.