SCHEMBL3919600

SCHEMBL3919600

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.76
CTNNB1 P35222 1/20 0.76
GAA P10253 1/20 0.56
EGFR P00533 3/20 0.55
ERBB2 P04626 3/20 0.55
PTPN7 P35236 1/20 0.55
PTPN12 Q05209 1/20 0.55
PTPN22 Q9Y2R2 1/20 0.55
MGLL Q99685 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PKM P14618 1/20 0.51
ALDH1A1 P00352 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CES2 O00748 1/20 0.47

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
SCHEMBL531007 0.96 BCL9 (0.76) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL531155 0.95 BCL9 (0.73) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL530771 0.95 BCL9 (0.73) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL570540 0.95 BCL9 (0.73) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL7079988 0.95 BCL9 (0.73) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL8643816 0.94 BCL9 (0.68) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL957930 0.93 BCL9 (0.81) BCL9CTNNB1GAAPTPN7PTPN12
SCHEMBL19170303 0.92 BCL9 (0.69) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL9657255 0.90 BCL9 (0.68) BCL9CTNNB1GAAEGFRERBB2
SCHEMBL4746640 0.90 BCL9 (0.68) BCL9CTNNB1GAAEGFRERBB2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801221-A EXPOSURE OF MONOMER SOLUTION TO FORM PATTERNS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-09-01 US claimed
EP-0697906-B1 ARTIFICIAL RECEPTORS, ANTIBODIES, AND ENZYMES MASSACHUSETTS INST TECHNOLOGY (US) 1998-08-26 EP claimed
US-9822353-B2 PEGylated aspartyl-tRNA synthetase polypeptides ATYR PHARMA, INC. (US) 2017-11-21 US disclosed
US-9714419-B2 PEGylated tyrosyl-tRNA synthetase polypeptides ATYR PHARMA, INC. (US) 2017-07-25 US disclosed
US-9255156-B2 Immunogenic synthetic glycoconjugate for the immunotherapy of melanoma AZIENDA OSPEDALIERO-UNIVERSITARIA CAREGGI (IT) 2016-02-09 US disclosed
US-20150159148-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC. 2015-06-11 US disclosed
US-20140255378-A1 PEGYLATED TYROSYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC (US) 2014-09-11 US disclosed
US-20140161806-A1 IMMUNOGENIC SYNTHETIC GLYCOCONJUGATE FOR THE IMMUNOTHERAPY OF MELANOMA AZIENDA OSPEDALIERO-UNIVERSITARIA CAREGGI (Italian Hospital) (IT) 2014-06-12 US disclosed
US-8680043-B2 Synthetic immunogenic glycoconjugate for melanoma immunotherapy AZIENDA OSPEDALIERO-UNIVERSITARIA CAREGGI (IT) 2014-03-25 US disclosed
WO-2013086228-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC. (US) 2013-06-13 WO disclosed
WO-2013022982-A2 PEGYLATED TYROSYL-TRNA SYNTHETASE POLYPEPTIDES ATYR PHARMA, INC. (US) 2013-02-14 WO disclosed
EP-2021141-A2 BIODEGRADABLE WATER SOLUBLE POLYMERS Medivas, LLC (US) 2009-02-11 EP disclosed
US-20070282011-A1 Biodegradable water soluble polymers MEDIVAS, LLC (US) 2007-12-06 US disclosed
WO-2007133616-A2 BIODEGRADABLE WATER SOLUBLE POLYMERS MEDIVAS, LLC (US) 2007-11-22 WO disclosed
US-5801221-A EXPOSURE OF MONOMER SOLUTION TO FORM PATTERNS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-09-01 US disclosed
EP-0697906-B1 ARTIFICIAL RECEPTORS, ANTIBODIES, AND ENZYMES MASSACHUSETTS INST TECHNOLOGY (US) 1998-08-26 EP disclosed
EP-0697906-A4 ARTIFICIAL RECEPTORS, ANTIBODIES, AND ENZYMES MASSACHUSETTS INST TECHNOLOGY (US) 1996-07-17 EP disclosed
EP-0697906-A1 ARTIFICIAL RECEPTORS, ANTIBODIES, AND ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1996-02-28 EP disclosed
WO-1994026381-A1 ARTIFICIAL RECEPTORS, ANTIBODIES, AND ENZYMES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1994-11-24 WO disclosed
US-4489710-A Composition and method for transplantation therapy XOMA CORPORATION (US) 1984-12-25 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 (3 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-20150159148-A1 PEGYLATED ASPARTYL-TRNA SYNTHETASE POLYPEPTIDES AARS1, GARS1, DARS1 BCL9 4458/4885CTNNB1 4872/4885GAA 198/4885
US-20140161806-A1 IMMUNOGENIC SYNTHETIC GLYCOCONJUGATE FOR THE IMMUNOTHERAPY OF MELANOMA CD47, CD4, CD14 BCL9 928/4885CTNNB1 3849/4885GAA 370/4885
US-20070282011-A1 Biodegradable water soluble polymers PHOSPHO1, PEF1, PEBP1 BCL9 602/4885CTNNB1 1770/4885GAA 1346/4885

“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.