SCHEMBL4453189

SCHEMBL4453189

CCP(CC)Cc1cccc(CP(CC)CC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 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
SCHEMBL29058716 0.85 PNMT (0.50) TAAR1CYP3A4IDO1
SCHEMBL6951031 0.82 TP53 (0.50) TP53TAAR1LOXL2ALDH1A1CYP3A4
SCHEMBL11762648 0.78 CYP1A2 (0.46) TP53CYP1A2BCHECYP3A4SMN1; SMN2
SCHEMBL4238238 0.77 TP53 (0.50) TP53TAAR1LOXL2ALDH1A1CYP3A4
SCHEMBL11761694 0.76 CYP2A6 (0.61) KMT2ACYP1A2BCHEACHEIDO1
SCHEMBL14810256 0.75 TAAR1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4449680 0.74 MEN1 (0.36) TP53GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9508046 0.73 TAAR1 (0.54) TAAR1ACHEALDH1A1IDO1
SCHEMBL4931955 0.72 HRH3 (0.41) TAAR1
Bromide SCHEMBL6700469 0.71 TP53 (0.44) TP53TAAR1LOXL2ALDH1A1CYP3A4

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-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US disclosed
US-20090312561-A1 METAL COMPLEXES LUCITE INTERNATIONAL UK LIMITED (GB) 2009-12-17 US 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-20090312561-A1 METAL COMPLEXES MLX, PICALM, AP2M1 TP53 3895/4885GRIN2D 2081/4885GRIN3B 954/4885

“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.