SCHEMBL4944977

SCHEMBL4944977

O=C(O)/C(=C(/C(=O)O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
CES1 P23141 2/20 0.65
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
SRD5A2 P31213 2/20 0.62
CES2 O00748 1/20 0.62
MAPK1 P28482 2/20 0.61
TSHR P16473 1/20 0.61
ALDH1A1 P00352 1/20 0.61
POLB P06746 1/20 0.56
GSK3B P49841 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL4949082 1.00 TDP1 (0.69) TDP1CES1CA1CA2SRD5A2
SCHEMBL15180824 0.83 CES1 (0.79) TDP1CES1CA1CA2SRD5A2
SCHEMBL2099160 0.83 CES1 (0.79) TDP1CES1CA1CA2SRD5A2
SCHEMBL15347688 0.82 TDP1 (0.53) TDP1CES1CA1CA2SRD5A2
SCHEMBL15347692 0.82 TDP1 (0.53) TDP1CES1CA1CA2SRD5A2
Terephthalic Acid SCHEMBL28023943 0.82 TDP1 (1.00) TDP1CES1CA1CA2SRD5A2
4-Nitrobenzoic Acid SCHEMBL43476 0.82 TDP1 (1.00) TDP1CES1CA1CA2SRD5A2
Hydrogen Peroxide SCHEMBL28789390 0.81 ALDH1A1 (0.72) TDP1CES1CA1CA2SRD5A2
SCHEMBL12168656 0.80 MAPK1 (0.63) TDP1CES1CA1CA2SRD5A2
4-Nitrobenzoic Acid SCHEMBL17332065 0.80 TDP1 (0.95) TDP1CES1CA1CA2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102830-B2 Bis-(α-amino)-diol-diester-containing poly (ester amide) and poly (ester urethane) compositions and methods of use MEDIVAS, LLC (US) 2015-08-11 US disclosed
US-20130210931-A1 BIS-(ALPHA-AMINO)-DIOL-DIESTER-CONTAINING POLY (ESTER AMIDE) AND POLY (ESTER URETHANE) COMPOSITIONS AND METHODS OF USE MEDIVAS, LLC (US) 2013-08-15 US disclosed
EP-1926780-B1 BIS-( -AMINO)-DIOL-DIESTER-CONTAINING POLY(ESTER AMIDE) AND POLY(ESTER URETHANE) COMPOSITIONS AND METHODS OF USE MEDIVAS LLC (US) 2013-08-14 EP disclosed
US-8445627-B2 Alkylene-dicarboxylate-containing biodegradable poly(ester-amides) and methods of use MEDIVAS, LLC (US) 2013-05-21 US disclosed
US-8445007-B2 Bis-(α-amino)-diol-diester-containing poly (ester amide) and poly (ester urethane) compositions and methods of use MEDIVAS, LLC (US) 2013-05-21 US disclosed
US-20080299174-A1 Bis-(Alpha-Amino)-Diol-Diester-Containing Poly (Ester Amide) and Poly (Ester Urethane) Compositions and Methods of Use MEDIVAS, LLC 2008-12-04 US disclosed
EP-1926780-A2 BIS-( -AMINO)-DIOL-DIESTER-CONTAINING POLY(ESTER AMIDE) AND POLY(ESTER URETHANE) COMPOSITIONS AND METHODS OF USE Medivas, LLC (US) 2008-06-04 EP disclosed
US-20070287987-A1 Alkylene-dicarboxylate-containing biodegradable poly(ester-amides) and methods of use MEDIVAS, LLC (US) 2007-12-13 US disclosed
WO-2007035938-A2 BIS-(α-AMINO)-DIOL-DIESTER-CONTAINING POLY(ESTER AMIDE) AND POLY(ESTER URETHANE) COMPOSITIONS AND METHODS OF USE MEDIVAS, LLC (US) 2007-03-29 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-20080299174-A1 Bis-(Alpha-Amino)-Diol-Diester-Containing Poly (Ester Amide) and Poly (Ester Urethane) Compositions and Methods of Use APEH, DAO, DNPEP TDP1 1613/4885CES1 318/4885CA1 365/4885

“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.