SCHEMBL9978745

SCHEMBL9978745

O=C(C=Cc1ccccc1)OC(=O)Oc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.50
MAOB P27338 2/20 0.47
BCHE P06276 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 7/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HSP90AA1 P07900 2/20 0.40
CCR6 P51684 1/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NR2F2 P24468 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL9978744 1.00 CYP1B1 (0.50) CYP1B1MAOBBCHESMN1; SMN2MAPT
SCHEMBL9978747 0.88 CYP1B1 (0.46) CYP1B1MAOBBCHESMN1; SMN2MAPT
SCHEMBL8065629 0.81 POLB (0.49) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8065636 0.77 POLB (0.51) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL8065631 0.77 POLB (0.51) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL6908275 0.76 CYP1B1 (0.64) CYP1B1MAOBBCHESMN1; SMN2MAPT
SCHEMBL7922516 0.76 CYP1B1 (0.64) CYP1B1MAOBBCHESMN1; SMN2MAPT
SCHEMBL5169415 0.76 ESR1 (0.58) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL5507667 0.76 ESR1 (0.58) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL27737793 0.75 POLB (0.43) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576575-B1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF UNIV FRASER SIMON (CA) 2018-09-05 EP disclosed
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
EP-2576575-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF Simon Fraser University (CA) 2013-04-10 EP disclosed
WO-2011147034-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2011-12-01 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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS CYP1B1 793/4885MAOB 1468/4885BCHE 1742/4885

“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.