SCHEMBL6026477

SCHEMBL6026477

CC1(c2ccc(Cl)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.39
CHRNG P07510 2/20 0.39
CHRNB1 P11230 2/20 0.39
CHRNB2 P17787 2/20 0.39
SLC6A2 P23975 2/20 0.39
CHRNB4 P30926 2/20 0.39
SLC6A4 P31645 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CHRND Q07001 2/20 0.39
ALDH1A1 P00352 5/20 0.36
HCAR2 Q8TDS4 3/20 0.35
HCAR3 P49019 2/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL7984729 1.00 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6927977 0.95 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7593441 0.95 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7969034 0.95 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6926535 0.84 HCAR2 (0.49) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL7965561 0.83 PTGS2 (0.43) ALDH1A1HPGDPTGS2
SCHEMBL6932927 0.81 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7984718 0.81 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL7983353 0.81 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6026628 0.80 MEN1 (0.37) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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-6010685-A SUNSCREEN AGENTS OXIS INTERNATIONAL, INC. (US) 2000-01-04 US claimed
US-7019029-B2 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2006-03-28 US 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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 US 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-6010685-A SUNSCREEN AGENTS OXIS INTERNATIONAL, INC. (US) 2000-01-04 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 (2 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 CHRNA1 2389/4885CHRNG 3297/4885CHRNB1 2885/4885
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 CHRNA1 2262/4885CHRNG 2393/4885CHRNB1 2519/4885

“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.