SCHEMBL24514752

SCHEMBL24514752

CNCCC(C)OCCOC(C)CCNC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.39
MTNR1B P49286 11/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 1/20 0.35
KISS1R Q969F8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PAOX Q6QHF9 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32

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
SCHEMBL24709364 0.80 KISS1R (0.36) KISS1RALDH1A1
SCHEMBL12145493 0.76 SMN1; SMN2 (0.41) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL21152766 0.76 HTR2A (0.32)
SCHEMBL18404646 0.76 KMT2A (0.42) MTNR1AMTNR1BALDH1A1
SCHEMBL18478390 0.75 MTNR1A (0.39) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL23486852 0.75 SLC6A2 (0.32)
SCHEMBL23083771 0.75 KDM4E (0.44) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL25490411 0.75
SCHEMBL23083836 0.75 KDM4E (0.44) MTNR1AMTNR1BKDM4EMAPK1HIF1A
SCHEMBL21276665 0.74 PAOX (0.46) KDM4EMAPK1HIF1ATSHRALDH1A1

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-20220185838-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIV BASEL (CH) 2022-06-16 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-20220185838-A1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN MAG, PMP22, SIGLEC7 MTNR1A 3028/4885MTNR1B 2812/4885KDM4E 2824/4885

“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.