SCHEMBL10137663

SCHEMBL10137663

C=CCOC(=O)c1cc(N)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 2/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A3 Q01959 1/20 0.54
ALDH1A1 P00352 5/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP3A4 P08684 1/20 0.49
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6279011 0.93 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4993714 0.89 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL10137675 0.86 KMT2A (0.54) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL17769232 0.86 KMT2A (0.69) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL12856431 0.85 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL5095083 0.85 ALDH1A1 (0.51) KMT2AALDH1A1LMNATSHRHSD17B10
SCHEMBL2526066 0.83 ALDH1A1 (0.41) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL5557935 0.82 ALDH1A1 (0.51) KMT2AALDH1A1LMNATSHRHSD17B10
SCHEMBL6282770 0.81 KMT2A (0.81) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL5108935 0.80 ALDH1A1 (0.46) KMT2AALDH1A1LMNATSHRHSD17B10

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 TDP1 2264/4885KMT2A 3597/4885SLC6A2 4810/4885

“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.