SCHEMBL6932670

SCHEMBL6932670

O=C1OC(c2ccc([N+](=O)[O-])cc2)(c2ccc(-c3ccc(Cl)cc3)cc2Cl)C(O)=C1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 13/20 0.38
KDM4E B2RXH2 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
GSK3B P49841 2/20 0.35
GSK3A P49840 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NLRP3 Q96P20 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL6932932 0.92 MDM2 (0.38) MDM2MAPTGSK3BGSK3AALDH1A1
SCHEMBL6932901 0.85 PGR (0.41) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL7966269 0.81 LMNA (0.40) MDM2HTTSMN1; SMN2MAPTALDH1A1
SCHEMBL7968407 0.79 POLB (0.46) KDM4EHTTSMN1; SMN2MAPTGSK3B
SCHEMBL7586371 0.77 AKR1C2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1POLB
SCHEMBL6934449 0.77 AKR1C2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1POLB
SCHEMBL6931685 0.74 PGR (0.43) ALDH1A1
SCHEMBL7539856 0.74 ABCG2 (0.37) MAPTPOLBRAB9A
SCHEMBL7968467 0.74 MAPT (0.39) HTTMAPTALDH1A1MEN1NPC1
SCHEMBL7966642 0.74 CYP1A2 (0.41) SMN1; SMN2MAPTALDH1A1MEN1NPC1

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 7 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
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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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

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 1077/4885KDM4E 2874/4885HTT 732/4885

“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.