SCHEMBL6934036

SCHEMBL6934036

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 5/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34
MPI P34949 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HCAR3 P49019 3/20 0.33
HCAR2 Q8TDS4 3/20 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
SCHEMBL7967039 1.00 PTGS2 (0.37) PTGS2ALDH1A1MAPK1KDM4ELMNA
SCHEMBL7965515 1.00 PTGS2 (0.37) PTGS2ALDH1A1MAPK1KDM4ELMNA
SCHEMBL7983353 0.87 CHRNA1 (0.42) PTGS2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6932927 0.87 CHRNA1 (0.42) PTGS2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7984718 0.87 CHRNA1 (0.42) PTGS2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6026628 0.86 MEN1 (0.37) PTGS2ALDH1A1LMNANPC1RAB9A
SCHEMBL7966664 0.84 HCAR2 (0.46) PTGS2ALDH1A1HCAR3HCAR2TSHR
SCHEMBL7030070 0.84 HCAR2 (0.46) PTGS2ALDH1A1HCAR3HCAR2TSHR
SCHEMBL7969034 0.84 ALDH1A1 (0.38) PTGS2ALDH1A1KDM4ESMN1; SMN2HCAR3
SCHEMBL7956282 0.84 HCAR2 (0.46) PTGS2ALDH1A1HCAR3HCAR2TSHR

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 PTGS2 720/4885ALDH1A1 311/4885MAPK1 4176/4885

“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.