SCHEMBL4547622

SCHEMBL4547622

CCNC(=O)CCCC(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
RECQL P46063 1/20 0.57
FAAH O00519 1/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GAA P10253 1/20 0.46
OXER1 Q8TDS5 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
EPHX2 P34913 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL13286462 0.86 TSHR (0.62) TSHRRECQLFAAHMEN1KMT2A
SCHEMBL12346213 0.86 FAAH (0.73) TSHRRECQLFAAHMEN1KMT2A
SCHEMBL20814153 0.83 GAA (0.61) TSHRRECQLFAAHKMT2AGAA
SCHEMBL23085256 0.83 RECQL (0.83) TSHRRECQLMEN1KMT2AGAA
SCHEMBL15399777 0.83 TSHR (0.65) TSHRRECQLFAAHMEN1KMT2A
SCHEMBL9618659 0.81 FAAH (0.81) TSHRRECQLFAAHMEN1KMT2A
SCHEMBL28238018 0.81 TSHR (1.00) TSHRRECQLMEN1KMT2AGAA
SCHEMBL50039 0.81 TSHR (1.00) TSHRRECQLMEN1KMT2AGAA
SCHEMBL13376978 0.80 RECQL (0.65) TSHRRECQLFAAHMEN1KMT2A
SCHEMBL13268369 0.79 FAAH (0.86) TSHRRECQLFAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108512-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF PEPTIDE DERIVATIZED USING AN OXIME LINKER NOVO NORDISK HEALTH CARE AG (CH) 2012-05-03 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-20120108512-A1 STABLE PHARMACEUTICAL COMPOSITIONS OF PEPTIDE DERIVATIZED USING AN OXIME LINKER PTMS, NGLY1, IAPP TSHR 553/4885RECQL 4391/4885FAAH 2400/4885

“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.