SCHEMBL15038853

SCHEMBL15038853

CC(OC(=O)Oc1ccccc1)n1nnnc1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.43
DAGLA Q9Y4D2 2/20 0.40
CNR2 P34972 1/20 0.40
TRPV1 Q8NER1 4/20 0.40
KDM4C Q9H3R0 1/20 0.38
HSD11B1 P28845 2/20 0.38
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
STAT5B P51692 1/20 0.36

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
SCHEMBL6357919 0.69 MGLL (0.46) MGLLALDH1A1FAAHDAGLACNR2
SCHEMBL8717854 0.69 NPC1 (0.46) CYP1A2
SCHEMBL16732072 0.67 TSHR (0.45) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL16732236 0.67 PPARG (0.44) CYP1A2
SCHEMBL2183633 0.66 MGLL (0.85) MGLLALDH1A1FAAHDAGLATRPV1
Benzene SCHEMBL8717860 0.66 TSHR (0.48) ALDH1A1MEN1KMT2A
SCHEMBL1792881 0.66 TSHR (0.48) ALDH1A1MEN1KMT2A
SCHEMBL9643255 0.66 MGLL (0.59) MGLLALDH1A1FAAHDAGLATRPV1
SCHEMBL28817737 0.66 SLC1A3 (0.43) ALDH1A1MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL17317282 0.65 MTNR1A (0.47) ALDH1A1MEN1KMT2A

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 MGLL 871/4885ALDH1A1 1462/4885FAAH 345/4885

“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.