SCHEMBL6932161

SCHEMBL6932161

CC(C)CC1(c2ccc(-c3ccccc3)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.35
MMP9 P14780 3/20 0.35
MMP3 P08254 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PTGS2 P35354 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCL2L1 Q07817 2/20 0.33
MCL1 Q07820 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MMP1 P03956 2/20 0.33
ADAM17 P78536 2/20 0.33
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
MEN1 O00255 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
SCHEMBL7572395 0.91 HCAR3 (0.39) MMP3NPC1RAB9ASMN1; SMN2HCAR3
SCHEMBL6929213 0.82 MMP2 (0.40) MMP2MMP9MMP3PTGS2NPC1
SCHEMBL7987626 0.81 ACACB (0.35) MMP2MCL1MMP13MAPTADAMTS4
SCHEMBL7983353 0.73 CHRNA1 (0.42) MMP2MMP9MMP3SLC6A2PTGS2
SCHEMBL6932927 0.73 CHRNA1 (0.42) MMP2MMP9MMP3SLC6A2PTGS2
SCHEMBL7984718 0.73 CHRNA1 (0.42) MMP2MMP9MMP3SLC6A2PTGS2
SCHEMBL6026229 0.69 ADK (0.39) ATMMAPT
SCHEMBL6026268 0.67 CFTR (0.39) MMP2MMP9MMP3NPC1RAB9A
SCHEMBL6934106 0.67 PTGS2 (0.39) PTGS2RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6026464 0.67 EGFR (0.43) MMP2MMP9MMP3NPC1RAB9A

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 10 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
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 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.