SCHEMBL18239178

SCHEMBL18239178

CCCOCCNC(=O)CCOCCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CNR1 P21554 3/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
GLP1R P43220 8/20 0.36
CASP2 P42575 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL21311576 0.98 MEN1 (0.45) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL25834703 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL17874808 0.93 MEN1 (0.47) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL23334288 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL25834766 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL26031870 0.92 MEN1 (0.50) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL12019236 0.90 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL26156218 0.90 HPGD (0.49) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL24919864 0.89 MEN1 (0.45) MEN1KMT2AALDH1A1CNR1HPGD
SCHEMBL24530494 0.89 HPGD (0.48) MEN1KMT2AALDH1A1CNR1HPGD

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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD JITSUBO CO., LTD. (JP) 2016-11-17 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-20160333052-A1 NOVEL CROSS-LINKED PEPTIDES CONTAINING NON-PEPTIDE CROSS-LINKED STRUCTURE, METHOD FOR SYNTHESIZING CROSS-LINKED PEPTIDES, AND NOVEL ORGANIC COMPOUND USED IN METHOD NRDC, VIP, NRP1 MEN1 3257/4885KMT2A 3705/4885ALDH1A1 4550/4885

“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.