SCHEMBL3200982

SCHEMBL3200982

O=C1C=C(c2ccc(C(F)(F)F)cc2C(F)(F)F)CO1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
PDE3B Q13370 11/20 0.38
PDE3A Q14432 11/20 0.38
TDP2 O95551 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 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
SCHEMBL13492166 0.84 PDE3B (0.43) PDE3BPDE3A
SCHEMBL3216042 0.80 NOTUM (0.42) PDE3BPDE3AMAOAMAOB
SCHEMBL3214101 0.76 BACE1 (0.42) PARP1
SCHEMBL3213139 0.74 HTR2C (0.46) MAOBPARP10
SCHEMBL28676412 0.72 TSHR (0.56) CES2ABCC8KCNJ11TDP2EDNRB
SCHEMBL3209419 0.68 PDE3B (0.43) CES2PDE3BPDE3ATDP2
SCHEMBL6764241 0.67 CA9 (0.38) PDE3BPDE3AMAOB
SCHEMBL16769520 0.67 PTPN11 (0.42) CES2ABCC8KCNJ11TDP2MAOA
SCHEMBL30040123 0.66 MAOA (0.62) TDP2MAOAMAOB
SCHEMBL9123030 0.66 MAOA (0.62) TDP2MAOAMAOB

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 CES2 655/4885ABCC8 1034/4885KCNJ11 2266/4885

“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.