SCHEMBL6930004

SCHEMBL6930004

O=C1OC(CCOc2ccc(Oc3ccccc3)cc2)C(O)=C1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.44
PLA2G2A P14555 1/20 0.44
PPARA Q07869 2/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NR1H2 P55055 1/20 0.39
BAX Q07812 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL6933176 0.89 KDM4E (0.45) HDAC1HDAC2KDM4EFFAR4
SCHEMBL8312881 0.89 KDM4E (0.45) HDAC1HDAC2KDM4EFFAR4
SCHEMBL7987827 0.74 LTA4H (0.41) LTA4HPLA2G2APPARGTAAR1FFAR4
SCHEMBL8671305 0.69 LTA4H (0.75) LTA4HPLA2G2APPARATAAR1PKM
SCHEMBL16976445 0.69 LTA4H (0.51) LTA4HPLA2G2A
SCHEMBL16950232 0.67 TAAR1 (0.43) PPARGTAAR1
SCHEMBL2296317 0.66 ALDH1A1 (0.83) LTA4HPLA2G2APPARAPKMNR1H2
SCHEMBL8730007 0.66 LTA4H (0.64) LTA4HPLA2G2APPARAHDAC1HDAC2
SCHEMBL9902586 0.65 LTA4H (0.63) LTA4HPLA2G2APPARA
SCHEMBL10583018 0.65 LTA4H (0.69) LTA4HPLA2G2APPARAHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US claimed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP claimed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO claimed
EP-1246811-B1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS ISLE OF MAN LTD (GB) 2003-12-03 EP disclosed
US-6613919-B2 Resolution with enantiomerically pure bases such as cinchonidine by forming a salt; also 3,4-dihydroxy-2(5H)-furanones OXIS ISLE OF MAN 2003-09-02 US disclosed
US-20030065196-A1 Method for resolving racemic mixtures of 5-substituted 4-hydroxy-2-furanones OXIS ISLE OF MAN 2003-04-03 US disclosed
EP-1246811-A1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS Isle of Man, Limited (GB) 2002-10-09 EP disclosed
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
WO-2001049671-A1 METHODS FOR RESOLVING RACEMIC MIXTURES OF 5-SUBSTITUTED 4-HYDROXY-2-FURANONES OXIS ISLE OF MAN, LIMITED (US) 2001-07-12 WO disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 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-20030065196-A1 Method for resolving racemic mixtures of 5-substituted 4-hydroxy-2-furanones ADH1C, SRD5A2, SRD5A1 LTA4H 245/4885PLA2G2A 2035/4885PPARA 3744/4885

“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.