SCHEMBL3205015

SCHEMBL3205015

O=C1C=C(c2ccc(OC(F)(F)F)cc2)CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NOTUM Q6P988 1/20 0.43
WNT3A P56704 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GALR1 P47211 1/20 0.41
KIF11 P52732 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
PRKDC P78527 1/20 0.39
GRM2 Q14416 1/20 0.39
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
SCN5A Q14524 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX2 P34913 1/20 0.37
AURKA O14965 1/20 0.36
TPX2 Q9ULW0 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
PDE3A Q14432 1/20 0.36

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
SCHEMBL30692648 0.78 CA1 (0.48) CA9PTGS1
SCHEMBL3214101 0.78 BACE1 (0.42) NOTUMWNT3ATNKS2GALR1KIF11
SCHEMBL3215846 0.75 PTGS1 (0.43) NOTUMCA9PTGS2PTGS1PDE3A
SCHEMBL22816882 0.75 L3MBTL1 (0.58) L3MBTL1NOTUMWNT3ATNKS2GALR1
SCHEMBL13923616 0.72 ALDH1A1 (0.40) NOTUMWNT3ATNKS2CA9PTGS2
SCHEMBL13492165 0.72 PTGS1 (0.41) NOTUMWNT3ATNKS2CA9PTGS2
SCHEMBL13492167 0.72 HTR2C (0.36) WNT3ATNKS2GALR1CA12CA9
SCHEMBL17073804 0.72 NPC1 (0.43) CA9PTGS2PTGS1
SCHEMBL979881 0.71 KMT2A (0.45) CA9PTGS2PTGS1
SCHEMBL16878883 0.69 NISCH (0.49) L3MBTL1NOTUMGALR1KIF11NISCH

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 6 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

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 L3MBTL1 4867/4885NOTUM 274/4885WNT3A 3932/4885

“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.