SCHEMBL17858890

SCHEMBL17858890

COC(=O)/C=C(/C)NCCO

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 3/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
FAAH O00519 1/20 0.33
KCNK3 O14649 1/20 0.33
CNR2 P34972 1/20 0.33
BLM P54132 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL11350460 0.89 HCAR2 (0.42) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR
SCHEMBL11571418 0.83 KDM4E (0.48) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR
SCHEMBL7435242 0.83 SMN1; SMN2 (0.38) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR
SCHEMBL9299850 0.83 SMN1; SMN2 (0.38) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR
SCHEMBL28792616 0.82 NPSR1 (0.46) HCAR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL11738393 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR
SCHEMBL11738371 0.82 SMN1; SMN2 (0.40) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR
SCHEMBL29308972 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28792604 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL20928885 0.80 DNM1 (0.40) SMN1; SMN2HCAR2KEAP1NFE2L2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK ECOLE SUPÉRIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-11-16 US disclosed
US-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK ECOLE SUPÉRIEURE DE PHYSIQUE ET DE CHIMIE INDUSTRIELLES DE LA VILLE DE PARIS (FR) 2017-11-16 US disclosed
WO-2016097169-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK UNIVERSITEIT GENT (BE) 2016-06-23 WO 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-20170327625-A1 COMPOSITIONS COMPRISING A POLYMERIC NETWORK CHRNA5, CHRNA1, CHRM1 SMN1; SMN2 1218/4885HCAR2 1259/4885KEAP1 1963/4885

“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.