SCHEMBL3865028

SCHEMBL3865028

CCCCN(CCCC)Cc1cc(CN(CCCC)CCCC)cc(CN(CCCC)CCCC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
BCHE P06276 3/20 0.49
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40

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
SCHEMBL19300121 0.85 MAPT (0.72) MAPTBCHEHRH3MEN1KMT2A
SCHEMBL14840227 0.82 MAPT (0.49) MAPTBCHEHRH3MEN1KMT2A
SCHEMBL16421915 0.79 MAPT (0.71) MAPTBCHEHRH3KDM4EALDH1A1
SCHEMBL329300 0.79 MAPT (0.66) MAPTBCHEHRH3MEN1KMT2A
SCHEMBL7130458 0.79 KCNH2 (0.54) MAPTBCHEGRIN2DGRIN3BGRIN1
SCHEMBL7130261 0.78 MAPT (0.70) MAPTHRH3KCNH2
Bromide SCHEMBL11611692 0.78 MAPT (0.63) MAPTBCHEHRH3MEN1KMT2A
SCHEMBL9768710 0.78 MAPT (0.63) MAPTBCHEHRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL693073 0.78 MAPT (0.63) MAPTBCHEHRH3MEN1KMT2A
SCHEMBL28783183 0.78 MAPT (0.69) MAPTBCHEHRH3KDM4EALDH1A1

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
EP-1778699-A4 TARGETING CHELANTS AND CHELATES DOW GLOBAL TECHNOLOGIES INC (US) 2009-02-25 EP disclosed
EP-1778699-A2 TARGETING CHELANTS AND CHELATES Dow Gloval Technologies Inc. (US) 2007-05-02 EP disclosed
US-20060210479-A1 Targeting chelants and chelates DOW GLOBAL TECHNOLOGIES INC. (US) 2006-09-21 US disclosed
WO-2006020779-A2 TARGETING CHELANTS AND CHELATES DOW GLOBAL TECHNOLOGIES INC. (US) 2006-02-23 WO 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-20060210479-A1 Targeting chelants and chelates CLTC, CALCOCO2, TFRC MAPT 1403/4885BCHE 2635/4885HRH3 3955/4885

“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.