SCHEMBL10137580

SCHEMBL10137580

CC(C)CCOC(=O)c1cc(OCCC(C)C)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
NPC1 O15118 1/20 0.47
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MLYCD O95822 1/20 0.41
ALOX5 P09917 2/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL417125 0.90 GAA (0.62) GAAKMT2AALDH1A1MAPK1MAPT
SCHEMBL418688 0.87 MAPK1 (0.55) GAAKMT2AKDM4EALDH1A1MAPK1
SCHEMBL10169334 0.82 ESR1 (0.55) PKMALDH1A1NPC1MAPK1MAPT
SCHEMBL28279716 0.78 ATM (0.60) GAAKMT2APKMKDM4EALDH1A1
SCHEMBL2385697 0.77 NPC1 (0.68) KMT2AKDM4ENPC1MAPK1MAPT
SCHEMBL7908561 0.75 NPC1 (0.54) GAAKMT2AKDM4EALDH1A1NPC1
SCHEMBL27764131 0.75 NPC1 (0.56) GAAALDH1A1NPC1ALOX5HTT
SCHEMBL9678410 0.74 NPC1 (0.47) GAAKMT2APKMKDM4EALDH1A1
SCHEMBL29173964 0.74 MAPT (0.48) GAAKMT2AKDM4EALDH1A1NPC1
SCHEMBL13251266 0.72 CHRNB2 (0.65) KMT2AALDH1A1MAPTLMNAMEN1

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 3 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
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 GAA 208/4885KMT2A 3597/4885PKM 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.