SCHEMBL6931685

SCHEMBL6931685

CC1(c2ccc(-c3ccc(Cl)cc3)cc2Cl)OC(=O)C(O)=C1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.43
HCAR2 Q8TDS4 2/20 0.38
NR3C1 P04150 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37
PTGER3 P43115 1/20 0.36
ALOX5 P09917 1/20 0.36
ESR2 Q92731 2/20 0.34
AHR P35869 1/20 0.34
TDP2 O95551 1/20 0.34
PTGS2 P35354 3/20 0.34
FTO Q9C0B1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
PTGS1 P23219 1/20 0.33
HCAR3 P49019 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
SCHEMBL7591686 0.91 AKR1C2 (0.42) PGRHCAR2NR3C1NR3C2AR
SCHEMBL6931613 0.91 AKR1C2 (0.42) PGRHCAR2NR3C1NR3C2AR
SCHEMBL7593441 0.81 ALDH1A1 (0.38) PGRHCAR2ALOX5PTGS2ALDH1A1
SCHEMBL7969034 0.81 ALDH1A1 (0.38) PGRHCAR2ALOX5PTGS2ALDH1A1
SCHEMBL6932901 0.78 PGR (0.41) PGRHCAR2ALOX5ESR2FTO
SCHEMBL7971858 0.77 MCL1 (0.38) PGRHCAR2ARPTGER3
SCHEMBL7984729 0.76 CHRNA1 (0.39) HCAR2PTGS2ALDH1A1HCAR3
SCHEMBL6026477 0.76 CHRNA1 (0.39) HCAR2PTGS2ALDH1A1HCAR3
SCHEMBL6932241 0.75 PTGER3 (0.36) PGRARPTGER3ALOX5TDP2
SCHEMBL6932670 0.74 MDM2 (0.38) ALDH1A1

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 PGR 3900/4885HCAR2 75/4885NR3C1 177/4885

“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.