SCHEMBL418069

SCHEMBL418069

COC(=O)C1=CCCC(C(=O)OC)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.45
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
THRB P10828 1/20 0.44
CHRM1 P11229 1/20 0.44
BLM P54132 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PTPN1 P18031 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL11336972 0.86 GABRR1 (0.38) CHRM3LMNABRD4HSD17B10KMT2A
SCHEMBL2531784 0.79 CHRM3 (0.47) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL22571128 0.79 CHRM3 (0.47) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL1826545 0.77
SCHEMBL10684598 0.77 SMN1; SMN2 (0.39) LMNABRD4KMT2ATP53ALDH1A1
SCHEMBL11337461 0.76 CA12 (0.34) LMNAHSD17B10ALDH1A1KDM4E
SCHEMBL11333460 0.76 PDK1 (0.42) LMNAKMT2AALDH1A1KDM4E
SCHEMBL14821051 0.73 BRD4 (0.36) BRD4KMT2ATP53ALDH1A1KDM4E
SCHEMBL11340754 0.73 ALDH1A1 (0.39) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL818273 0.72 LMNA (0.46) CHRM3LMNACHRM2CHRM4CHRM5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
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-6958384-B2 Polypeptides containing γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-10-25 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US disclosed
US-20030211999-A1 Polypeptides containing gamma-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-11-13 US disclosed
US-4255588-A Synthesis of cyclohexene dicarboxylic acid esters GULF OIL CORPORATION (US) 1981-03-10 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 (3 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 CHRM3 4481/4885LMNA 1950/4885CHRM2 4690/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ CHRM3 4369/4885LMNA 1962/4885CHRM2 4634/4885
US-20030211999-A1 Polypeptides containing gamma-amino acids PEPD, DNPEP, ANPEP CHRM3 4782/4885LMNA 660/4885CHRM2 4788/4885

“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.