SCHEMBL10169795

SCHEMBL10169795

CCCCOc1cc(N)cc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
CYP3A4 P08684 2/20 0.55
TSHR P16473 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 4/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G2A P14555 1/20 0.44

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
SCHEMBL417403 0.87 KMT2A (0.59) TDP1L3MBTL1ALDH1A1KMT2ASLC6A2
SCHEMBL419486 0.86 KMT2A (0.47) TDP1L3MBTL1ALDH1A1MAPK1KMT2A
SCHEMBL9323915 0.84 PLA2G2A (0.56) TDP1CYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL10169333 0.84 LMNA (0.60) CYP3A4TSHRALDH1A1MAPK1SLC6A3
SCHEMBL10017569 0.84 NPC1 (0.52) CYP3A4TSHRALDH1A1LMNACYP1A2
SCHEMBL10137662 0.83 KMT2A (0.55) TDP1TSHRALDH1A1KMT2ASLC6A2
SCHEMBL20830910 0.83 TSHR (0.65) TDP1CYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL9166914 0.83 PLA2G2A (0.57) TDP1CYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL9167645 0.83 CNR2 (0.53) TDP1CYP3A4TSHRL3MBTL1ALDH1A1
SCHEMBL4993714 0.81 TDP1 (0.68) TDP1ALDH1A1KMT2ASLC6A2SLC6A3

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 2264/4885CYP3A4 4492/4885TSHR 3521/4885

“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.