SCHEMBL6927977

SCHEMBL6927977

CC1(c2ccc(-c3ccc(Cl)cc3)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
PGR P06401 1/20 0.38
PTGS2 P35354 3/20 0.37
CHRNA1 P02708 2/20 0.36
CHRNG P07510 2/20 0.36
CHRNB1 P11230 2/20 0.36
CHRNB2 P17787 2/20 0.36
SLC6A2 P23975 2/20 0.36
CHRNB4 P30926 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRND Q07001 2/20 0.36
EDNRA P25101 1/20 0.36
CYP1A2 P05177 1/20 0.34
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL7593441 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPGRPTGS2
SCHEMBL7969034 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDPGRPTGS2
SCHEMBL6026477 0.95 CHRNA1 (0.39) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL7984729 0.95 CHRNA1 (0.39) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL7983353 0.87 CHRNA1 (0.42) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL7984718 0.87 CHRNA1 (0.42) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL6932927 0.87 CHRNA1 (0.42) ALDH1A1KDM4EHPGDPTGS2CHRNA1
SCHEMBL6026628 0.86 MEN1 (0.37) ALDH1A1PTGS2CHRNA1CHRNGCHRNB1
SCHEMBL7965561 0.85 PTGS2 (0.43) ALDH1A1HPGDPTGS2SMN1; SMN2
SCHEMBL6934036 0.84 PTGS2 (0.37) ALDH1A1KDM4EPTGS2CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US 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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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 ALDH1A1 311/4885KDM4E 2874/4885HPGD 214/4885

“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.