SCHEMBL10169334

SCHEMBL10169334

CCCCOC(=O)c1cc(OCCCC)cc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.55
NPC1 O15118 2/20 0.52
PKM P14618 1/20 0.51
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46

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
SCHEMBL11358519 0.90 ESR1 (0.62) ESR1NPC1PKMALDH1A1TDP1
SCHEMBL18020904 0.90 ESR1 (0.62) ESR1NPC1PKMALDH1A1TDP1
SCHEMBL29173964 0.89 MAPT (0.48) ESR1NPC1ALDH1A1TDP1MAPT
SCHEMBL9676771 0.86 ESR1 (0.68) ESR1NPC1PKMALDH1A1MAPT
SCHEMBL11829127 0.85 ESR1 (0.56) ESR1NPC1PKMALDH1A1TDP1
SCHEMBL9679699 0.85 ESR1 (0.71) ESR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9169504 0.85 ESR1 (0.71) ESR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL9678194 0.85 ESR1 (0.71) ESR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL11700483 0.85 ESR1 (0.71) ESR1NPC1ALDH1A1MAPTRAB9A
SCHEMBL6792765 0.85 ESR1 (0.71) ESR1NPC1ALDH1A1MAPTRAB9A

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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 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-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ ESR1 4235/4885NPC1 4725/4885PKM 2715/4885

“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.