SCHEMBL15033686

SCHEMBL15033686

COC(=O)NCC(C)(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
CNR1 P21554 6/20 0.37
CNR2 P34972 6/20 0.37
TRPA1 O75762 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
DGAT1 O75907 1/20 0.34
PIK3CD O00329 1/20 0.34
TSHR P16473 2/20 0.33
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.32
RECQL P46063 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
SCHEMBL842921 0.83 TDP1 (0.52) EPHX1TDP1TSHRMEN1GAA
SCHEMBL4730960 0.82 EPHX1 (0.41) EPHX1TDP1DGAT1TSHRTET2
SCHEMBL14661170 0.79 GAA (0.41) CNR1CNR2TSHRMEN1GAA
SCHEMBL14930633 0.78 EPHX1 (0.39) EPHX1TDP1TSHRTET2RECQL
SCHEMBL22680370 0.78 EPHX1 (0.39) EPHX1TDP1TSHRTET2GAA
SCHEMBL15614667 0.78 EPHX1 (0.39) EPHX1TDP1TSHRTET2RECQL
SCHEMBL28649387 0.76 EPHX1 (0.38) EPHX1TSHRTET2RECQL
SCHEMBL15033771 0.76 LMNA (0.36) EPHX1
SCHEMBL31317634 0.76 CNR1 (0.40) EPHX1CNR1CNR2TRPA1TRPV1
SCHEMBL9089174 0.75 EPHX1 (0.40) EPHX1TSHRTET2GAA

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-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US disclosed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS EPHX1 227/4885CNR1 805/4885CNR2 465/4885

“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.