SCHEMBL3219680

SCHEMBL3219680

O=C1C=C(c2ccc(C(F)(F)F)cc2)/C(=C/c2ccc(C(F)(F)F)cc2)O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
CYP1A2 P05177 2/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 1/20 0.41
HSD17B3 P37058 1/20 0.38
FBP1 P09467 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
AHR P35869 1/20 0.35
NOTUM Q6P988 1/20 0.35
KIF11 P52732 1/20 0.34
ALOX5 P09917 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL4801001 0.91 PIM1 (0.38) BACE1CYP1A2PIM1PIM2HSD17B3
SCHEMBL3225879 0.83 STK17B (0.45) PIM1PIM2HSD17B3ALOX5
SCHEMBL3204969 0.81 PIM1 (0.45) PIM1PIM2NOTUMKIF11ALOX5
SCHEMBL1013615 0.79 BACE1 (0.58) BACE1CYP1A2NOTUMKIF11
SCHEMBL30674009 0.78 ALOX5 (0.46) BACE1CYP1A2ALOX5L3MBTL1
SCHEMBL13492149 0.78 CISD1 (0.42) BACE1PIM1PIM2FBP1NOTUM
SCHEMBL3213362 0.76 CISD1 (0.43) PIM1PIM2FBP1NOTUM
SCHEMBL4797164 0.76 PLCG2 (0.47) HSD17B3FBP1CA1CA2NOTUM
SCHEMBL3214270 0.76 PLCG2 (0.47) HSD17B3FBP1CA1CA2NOTUM
SCHEMBL2164776 0.76 KDM4E (0.49) BACE1CYP1A2L3MBTL1

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-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
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
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
WO-2008040097-A1 FURANONE COMPOUNDS AND LACTAM ANALOGUES THEREOF BIOSIGNAL LIMITED (AU) 2008-04-10 WO disclosed
WO-2008040097-A1 FURANONE COMPOUNDS AND LACTAM ANALOGUES THEREOF BIOSIGNAL LIMITED (AU) 2008-04-10 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-20100035948-A1 Furanone compounds and lactam analogues thereof FDPS, CYP2C19, MRPL21 BACE1 345/4885CYP1A2 39/4885PIM1 2252/4885

“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.