SCHEMBL2546199

SCHEMBL2546199

CC(=O)Oc1ccccc1C(=O)Oc1cccc(C=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
HPGD P15428 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
PTGS2 P35354 2/20 0.52
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
TSHR P16473 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49

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
SCHEMBL4125810 0.85 HSD17B10 (0.66) KMT2AHPGDMAPTHSD17B10KDM4E
Acetaldehyde SCHEMBL27348300 0.83 HSD17B10 (0.54) KMT2AHPGDMAPTGAANPC1
SCHEMBL29456918 0.82 CYP3A4 (0.59) KMT2AHPGDMAPTGAANPC1
SCHEMBL2094506 0.82 CYP3A4 (0.59) KMT2AHPGDMAPTGAANPC1
SCHEMBL6810872 0.82 MAPT (0.49) KMT2AHPGDMAPTGAANPC1
Phenylaspirinate SCHEMBL25954 0.81 HSD17B10 (0.75) KMT2AHPGDMAPTHSD17B10KDM4E
Phenylaspirinate SCHEMBL29389369 0.81 HSD17B10 (0.75) KMT2AHPGDMAPTHSD17B10KDM4E
SCHEMBL12268174 0.80 PTGS2 (0.60) KMT2AHPGDMAPTGAAHSD17B10
SCHEMBL27346993 0.79 ALDH1A1 (0.60) KMT2AHPGDMAPTGAANPC1
SCHEMBL2547980 0.78 PTGS2 (0.62) KMT2AHPGDMAPTGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560634-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS Piramal Enterprises Limited (IN) 2013-02-27 EP disclosed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO disclosed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 US disclosed
US-7629368-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2009-12-08 US disclosed
US-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2009-03-19 US disclosed
US-7465803-B2 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2008-12-16 US disclosed
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. 2008-08-14 US disclosed
EP-1339665-B1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX SA (FR) 2007-12-19 EP disclosed
EP-1147074-B1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX SA (FR) 2005-03-23 EP disclosed
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis NICOX S.A. (FR) 2004-02-05 US disclosed
EP-1339665-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS Nicox S.A. (FR) 2003-09-03 EP disclosed
US-6512137-B1 Esterification, reduction, halogenation, nitration NICOX S.A. (FR) 2003-01-28 US disclosed
WO-2002030866-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NICOX S.A. (FR) 2002-04-18 WO disclosed
EP-1147074-A1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX S.A. (FR) 2001-10-24 EP disclosed
WO-2000044705-A1 SYNTHESIS METHOD OF NITROXYMETHYLPHENYL ESTERS OF ASPIRIN DERIVATIVES NICOX S.A. (FR) 2000-08-03 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 (4 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-20090075952-A1 NITRODERVIATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR0B1, NOX1 KMT2A 3396/4885HPGD 154/4885MAPT 3082/4885
US-20080194651-A1 NITRODERIVATIVES AS DRUGS FOR DISEASES HAVING AN INFLAMMATORY BASIS NR3C1, NR2E1, CYP2E1 KMT2A 2845/4885HPGD 157/4885MAPT 3385/4885
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents NOS2, NOS1, NOS3 KMT2A 3867/4885HPGD 9/4885MAPT 4304/4885
US-20040023933-A1 Nitroderivatives as drugs for diseases having an inflammatory basis TPMT, NOX1, CBR1 KMT2A 2615/4885HPGD 152/4885MAPT 1569/4885

“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.