SCHEMBL13801404

SCHEMBL13801404

CN(C)CCCCC(N)C=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
DNM1 Q05193 3/20 0.36
TDP1 Q9NUW8 1/20 0.34
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ANPEP P15144 1/20 0.32
HSD17B10 Q99714 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24642606 1.00 ALDH1A1 (0.42) ALDH1A1TSHRDNM1TDP1CYP2C9
SCHEMBL12329318 0.84
SCHEMBL11778128 0.81 TSHR (0.31) TSHR
SCHEMBL16565997 0.75
SCHEMBL997385 0.75
SCHEMBL23128780 0.75 LMNA (0.42) TSHR
SCHEMBL15494036 0.75
SCHEMBL18349801 0.74 ALDH1A1 (0.37) ALDH1A1TSHRDNM1TDP1
SCHEMBL25260863 0.73 OPRM1 (0.48) TSHR
SCHEMBL25247617 0.73 LMNA (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015006740-A2 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-15 WO disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ALDH1A1 2929/4885TSHR 181/4885DNM1 2032/4885

“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.