SCHEMBL17469583

SCHEMBL17469583

C=C(/C=C\C=C/C)CNC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.46
CNR2 P34972 8/20 0.37
CNR1 P21554 6/20 0.37
PPARG P37231 2/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 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
SCHEMBL15293393 0.82 SOAT1 (0.33) SOAT1KDM4EMAPK1HIF1AMTNR1A
SCHEMBL24323094 0.79 CASP2 (0.37) SOAT1CNR2CNR1PPARGPPARD
SCHEMBL7033746 0.78 CNR2 (0.36) SOAT1CNR2CNR1PPARGPPARD
SCHEMBL13068893 0.76 CNR2 (0.33) CNR2CNR1PPARGPPARDPPARA
SCHEMBL14767422 0.75 CNR2 (0.30) CNR2CNR1PPARGPPARDPPARA
SCHEMBL15727926 0.74 CNR2 (0.36) CNR2CNR1PPARGPPARDPPARA
SCHEMBL25018313 0.71 CNR2 (0.34) CNR2CNR1PPARGPPARDPPARA
SCHEMBL24990161 0.70 CNR2 (0.35) SOAT1CNR2CNR1PPARGPPARD
SCHEMBL24991325 0.70 CNR2 (0.35) SOAT1CNR2CNR1PPARGPPARD
SCHEMBL22549698 0.69 SOAT1 (0.46) SOAT1KDM4EMAPK1HIF1AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008950-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2017-01-12 US disclosed
US-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2016-01-28 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 (2 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-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, FCGR2A, VSIG8 SOAT1 2202/4885CNR2 2715/4885CNR1 2035/4885
US-20170008950-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, SCLY, FCGR2A SOAT1 1168/4885CNR2 4510/4885CNR1 4407/4885

“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.