SCHEMBL6553048

SCHEMBL6553048

COc1cc(C(=O)ON2C(=O)CCC2=O)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B2 P37059 1/20 0.55
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP2D6 P10635 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 5/20 0.48
DUSP3 P51452 3/20 0.48
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
GFER P55789 1/20 0.48
PTPN7 P35236 2/20 0.47
CYP1A2 P05177 1/20 0.47
HSP90AA1 P07900 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
SCHEMBL11038736 0.88 TSHR (0.53) KMT2ARAB9ACYP2D6SMN1; SMN2ALDH1A1
SCHEMBL9225912 0.87 HSD17B2 (0.42) KMT2AHSD17B2KDM4EPOLBSMN1; SMN2
SCHEMBL4807790 0.84 HTR4 (0.46) RAB9AHSD17B2HTTKDM4ESMN1; SMN2
SCHEMBL6553052 0.84 MAPT (0.46) KMT2ARAB9AKDM4EPOLBCYP2D6
SCHEMBL4809444 0.82 ALDH1A1 (0.56) RAB9AHTTKDM4EPOLBSMN1; SMN2
SCHEMBL9228976 0.81 MAPT (0.38) KMT2AMEN1RAB9AHSD17B2KDM4E
SCHEMBL1231155 0.80 ALDH1A1 (0.46) KMT2AMEN1RAB9APOLBSMN1; SMN2
SCHEMBL4510376 0.80 G6PD (0.51) KMT2AMEN1RAB9AHSD17B2HTT
SCHEMBL6887255 0.79 ESR1 (0.47) KMT2AMEN1HSD17B2HTTKDM4E
SCHEMBL7522573 0.78 TSHR (0.58) RAB9AHSD17B2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5290937-A Radiolabeling of proteins using alkoxyphenol derivatives E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US claimed
US-8945927-B2 Polymers for delivering molecules of interest UNIVERSITE DE STRASBOURG (FR) 2015-02-03 US disclosed
US-8945927-B2 Polymers for delivering molecules of interest UNIVERSITE DE STRASBOURG (FR) 2015-02-03 US disclosed
US-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-18 US disclosed
US-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-18 US disclosed
WO-2011120953-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST UNIVERSITE DE STRASBOURG (FR) 2011-10-06 WO disclosed
EP-0904396-B1 PRODUCTION OF VANILLIN PLANT BIOSCIENCE LTD (GB) 2004-02-18 EP disclosed
US-6664088-B2 Reacting trans-ferulic acid and coenzyme a (CoASH) under trans-ferulate:CoASH ligase enzyme activity, trans-feruloyl SCoA hydratase activity, and 4-hydroxy-3-methoxyphenyl-beta-hydroxypropionyl SCoA cleavage activity; Pseudomonas enzymes PLANT BIOSCIENCE LIMITED (GB) 2003-12-16 US disclosed
US-20030167511-A1 Production of p-hydroxybenzoic acid PLANT BIOSCIENCE LIMITED (GB) 2003-09-04 US disclosed
US-6323011-B1 PROVIDING TRANS-FERULIC ACID OR ITS SALT; COMBINING WITH ENZYME ACTIVITY I, ENZYME ACTIVITY II, AND ENZYME ACTIVITY III, WHEREIN ENZYME ACTIVITY I, ENZYME ACTIVITY II, AND ENZYME ACTIVITY III CATALYZE THE PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 2001-11-27 US disclosed
US-20010014467-A1 Production of vanillin NARBAD ARJAN (GB) 2001-08-16 US disclosed
EP-0904396-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1999-03-31 EP disclosed
WO-1997035999-A2 PRODUCTION OF VANILLIN INSTITUTE OF FOOD RESEARCH (GB) 1997-10-02 WO disclosed
US-5290937-A Radiolabeling of proteins using alkoxyphenol derivatives E. R. SQUIBB & SONS, INC. (US) 1994-03-01 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-20130096177-A1 POLYMERS FOR DELIVERING MOLECULES OF INTEREST PHAX, CD44, SNRPE KMT2A 2996/4885MEN1 2581/4885SLC22A6 1710/4885

“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.