SCHEMBL763025

SCHEMBL763025

O=C(OCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.57
BCL9 O00512 1/20 0.54
CTNNB1 P35222 1/20 0.54
GAA P10253 1/20 0.53
MGLL Q99685 2/20 0.51
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL10062012 0.95 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL22959846 0.95 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL409598 0.93 HTR2A (0.59) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL9910888 0.93 HTR2A (0.54) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL29192620 0.93 HTR2A (0.51) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL15760612 0.92 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL1144551 0.92 MGLL (0.62) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL11998880 0.91 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL27882785 0.91 MGLL (0.60) HTR2ABCL9CTNNB1GAAMGLL
SCHEMBL20466168 0.91 HTR2A (0.52) HTR2ABCL9CTNNB1GAAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313794-B1 ELASTOMERIC FUNCTIONAL BIODEGRADABLE COPOLYESTER AMIDES AND COPOLYESTER URETHANES CORNELL RES FOUNDATION INC (US) 2006-11-29 EP claimed
US-6503538-B1 Elastomeric functional biodegradable copolyester amides and copolyester urethanes CORNELL RESEARCH FOUNDATION, INC. 2003-01-07 US claimed
US-8137700-B2 Main chain acid-degradable polymers for the delivery of bioactive materials U.S. DEPARTMENT OF ENERGY (US) 2012-03-20 US disclosed
US-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-09-03 US disclosed
US-7408018-B2 Elastomeric functional biodegradable copolyester amides and copolyester urethanes CORNELL RESEARCH FOUNDATION, INC. (US) 2008-08-05 US disclosed
US-20070027293-A1 Elastomeric functional biodegradable copolyester amides and copolyester urethanes CORNELL RESEARCH FOUNDATION, INC. 2007-02-01 US disclosed
US-6503538-B1 Elastomeric functional biodegradable copolyester amides and copolyester urethanes CORNELL RESEARCH FOUNDATION, INC. 2003-01-07 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-20090220615-A1 Main Chain Acid-Degradable Polymers for the Delivery of Bioactive Materials CTSA, GAA, CTSB HTR2A 4460/4885BCL9 2681/4885CTNNB1 4860/4885

“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.