SCHEMBL6926535

SCHEMBL6926535

CC1(c2ccccc2)OC(=O)C(O)=C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.49
HCAR3 P49019 6/20 0.49
CYP1A2 P05177 2/20 0.49
SIRT1 Q96EB6 1/20 0.41
DHODH Q02127 1/20 0.39
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CFTR P13569 1/20 0.35
GOPC Q9HD26 1/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
LDHA P00338 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL6932927 0.90 CHRNA1 (0.42) HCAR2HCAR3CYP1A2SIRT1MMP2
SCHEMBL7984718 0.90 CHRNA1 (0.42) HCAR2HCAR3CYP1A2SIRT1MMP2
SCHEMBL7983353 0.90 CHRNA1 (0.42) HCAR2HCAR3CYP1A2SIRT1MMP2
SCHEMBL6026477 0.84 CHRNA1 (0.39) HCAR2HCAR3CYP1A2CHRNB2SLC6A2
SCHEMBL7984729 0.84 CHRNA1 (0.39) HCAR2HCAR3CYP1A2CHRNB2SLC6A2
SCHEMBL7556814 0.83 HCAR2 (0.51) HCAR2HCAR3CYP1A2SIRT1DHODH
SCHEMBL6026628 0.81 MEN1 (0.37) HCAR2HCAR3CYP1A2CHRNB2SLC6A2
SCHEMBL7969034 0.80 ALDH1A1 (0.38) HCAR2HCAR3CYP1A2CHRNB2SLC6A2
SCHEMBL6934036 0.80 PTGS2 (0.37) HCAR2HCAR3CYP1A2CHRNB2SLC6A2
SCHEMBL7966664 0.80 HCAR2 (0.46) HCAR2HCAR3CHRNB2SLC6A2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016763-B1 A METALLIC NANOPARTICLE DISPERSION AGFA GEVAERT (BE) 2018-03-28 EP disclosed
US-9839961-B2 Metallic nanoparticle dispersion AGFA GEVAERT (BE) 2017-12-12 US disclosed
US-9839961-B2 Metallic nanoparticle dispersion AGFA GEVAERT (BE) 2017-12-12 US disclosed
US-20160082516-A1 A METALLIC NANOPARTICLE DISPERSION AGFA GEVAERT (BE) 2016-03-24 US disclosed
US-20160082516-A1 A METALLIC NANOPARTICLE DISPERSION AGFA GEVAERT (BE) 2016-03-24 US disclosed
WO-2015000937-A1 A METALLIC NANOPARTICLE DISPERSION AGFA-GEVAERT (BE) 2015-01-08 WO disclosed
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 HCAR2 75/4885HCAR3 117/4885CYP1A2 596/4885

“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.