SCHEMBL3201004

SCHEMBL3201004

O=C1C=C(c2ccccc2)C(=CBr)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTPN1 P18031 2/20 0.36
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
CDC25B P30305 1/20 0.36
HSD17B3 P37058 1/20 0.36
MAPT P10636 7/20 0.35
ALDH1A1 P00352 6/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 2/20 0.34
PKM P14618 1/20 0.34
ALOX12 P18054 1/20 0.34
HPGD P15428 4/20 0.33
GAA P10253 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
SCHEMBL3200990 1.00 BACE1 (0.41) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL3201002 1.00 BACE1 (0.41) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL2164772 0.81 KDM4E (0.49) BACE1MAOAMAOBMAPTALDH1A1
SCHEMBL2164776 0.81 KDM4E (0.49) BACE1MAOAMAOBMAPTALDH1A1
SCHEMBL2164768 0.81 KDM4E (0.49) BACE1MAOAMAOBMAPTALDH1A1
Benzene SCHEMBL28133344 0.79 BACE1 (0.50) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL210321 0.79 BACE1 (0.50) BACE1MAOAMAOBPTPN1PTPRC
Benzene SCHEMBL28277789 0.79 BACE1 (0.50) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL9228205 0.79 ALDH1A1 (0.51) BACE1MAOAMAOBMAPTALDH1A1
SCHEMBL28296080 0.77 BACE1 (0.48) BACE1MAOAMAOBPTPN1PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
EP-1294705-B1 SYNTHESIS OF CYCLIC COMPOUNDS BIOSIGNAL LTD (AU) 2008-09-10 EP disclosed
WO-2008040097-A1 FURANONE COMPOUNDS AND LACTAM ANALOGUES THEREOF BIOSIGNAL LIMITED (AU) 2008-04-10 WO disclosed
US-6958145-B2 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2005-10-25 US disclosed
EP-1294705-A4 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LTD (AU) 2005-02-09 EP disclosed
US-20040110966-A1 Synthesis of cyclic compounds UNISEARCH LIMITED (AU) 2004-06-10 US disclosed
EP-1294705-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2003-03-26 EP disclosed
WO-2002000639-A1 SYNTHESIS OF CYCLIC COMPOUNDS UNISEARCH LIMITED (AU) 2002-01-03 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 (2 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-20040110966-A1 Synthesis of cyclic compounds RFC2, POLR2H, REV1 BACE1 3493/4885MAOA 3248/4885MAOB 1940/4885
US-20100035948-A1 Furanone compounds and lactam analogues thereof FDPS, CYP2C19, MRPL21 BACE1 345/4885MAOA 480/4885MAOB 191/4885

“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.