SCHEMBL6932932

SCHEMBL6932932

Cc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)c(Cl)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARG P37231 1/20 0.34
HTR1E P28566 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
SCHEMBL6932670 0.92 MDM2 (0.38) MDM2GSK3AGSK3BALDH1A1MAPT
SCHEMBL7966269 0.90 LMNA (0.40) MDM2ACHEHSD17B10MMP2MMP9
SCHEMBL6934449 0.86 AKR1C2 (0.41) AKR1C2AKR1C1ALDH1A1MAPTKMT2A
SCHEMBL7586371 0.86 AKR1C2 (0.41) AKR1C2AKR1C1ALDH1A1MAPTKMT2A
SCHEMBL7968407 0.78 POLB (0.46) MMP2MMP9MMP8MMP13GSK3B
SCHEMBL6932901 0.77 PGR (0.41) HSD17B10AKR1C2AKR1C1ALDH1A1MAPT
SCHEMBL7591686 0.77 AKR1C2 (0.42) AKR1C2AKR1C1KMT2A
SCHEMBL6931613 0.77 AKR1C2 (0.42) AKR1C2AKR1C1KMT2A
SCHEMBL7965276 0.76 HSPB1 (0.40) MDM2MAOAMAOBALDH1A1MAPT
SCHEMBL7972386 0.75 MAPT (0.40) ACHEHSD17B10MMP2MMP9MMP8

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 MDM2 1077/4885ACHE 4303/4885HSD17B10 149/4885

“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.