SCHEMBL6929213

SCHEMBL6929213

CCCC1(c2ccc(-c3ccccc3)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP3 P08254 2/20 0.39
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 3/20 0.35
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PSMB8 P28062 1/20 0.33
BCL2L1 Q07817 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL6932161 0.82 MMP2 (0.35) MMP2MMP9MMP3HCAR3HCAR2
SCHEMBL7984522 0.81 MRGPRX4 (0.37) MMP2MMP9MMP3SMN1; SMN2MAPT
SCHEMBL7984718 0.74 CHRNA1 (0.42) MMP2MMP9MMP3HCAR3HCAR2
SCHEMBL6932927 0.74 CHRNA1 (0.42) MMP2MMP9MMP3HCAR3HCAR2
SCHEMBL7983353 0.74 CHRNA1 (0.42) MMP2MMP9MMP3HCAR3HCAR2
SCHEMBL6026229 0.73 ADK (0.39) MAPTALDH1A1
SCHEMBL7572395 0.72 HCAR3 (0.39) MMP3HCAR3HCAR2SMN1; SMN2MAPT
SCHEMBL6026464 0.70 EGFR (0.43) MMP2MMP9MMP3HCAR3HCAR2
SCHEMBL6026268 0.68 CFTR (0.39) MMP2MMP9MMP3HPGDSMN1; SMN2
SCHEMBL11262329 0.65 MMP2 (0.42) MMP2MMP9MMP3HCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MMP2 812/4885MMP9 559/4885MMP3 2049/4885

“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.