SCHEMBL6137792

SCHEMBL6137792

CCCCCCCC1=CC(=O)OC1(O)CNc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PLK1 P53350 1/20 0.37
PTPN1 P18031 1/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
NAAA Q02083 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ASAH1 Q13510 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
SCHEMBL6328552 0.76 FAAH (0.37) EPHX1HTTALDH1A1PTPN1MEN1
SCHEMBL8985019 0.71 ACHE (0.41) ALDH1A1PTPN1KDM4EMEN1HPGD
Heptane SCHEMBL28185767 0.66 EPHX1 (0.54) EPHX1HTTALDH1A1ICMTALB
SCHEMBL4652217 0.64 THRA (0.37) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL4651440 0.64 THRA (0.37) ALDH1A1KDM4EMEN1HPGDKMT2A
Acetic Acid SCHEMBL8670303 0.63 EPHX1 (0.58) EPHX1HTTALDH1A1GAAHPGD
Decane SCHEMBL28485199 0.62 EPHX1 (0.67) EPHX1HTTALDH1A1ICMTALB
Undecane SCHEMBL28335641 0.62 EPHX1 (0.67) EPHX1HTTALDH1A1ICMTALB
Heptane SCHEMBL28333277 0.62 EPHX1 (0.67) EPHX1HTTALDH1A1ICMTALB
Sulfuric Acid SCHEMBL22117414 0.62 EPHX1 (0.57) EPHX1HTTALDH1A1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215772-A1 Furanone derivatives and methods of making same BIOSIGNAL LIMITED (AT) 2005-09-29 US disclosed
EP-1539692-A4 FURANONE DERIVATIVES AND METHODS OF MAKING SAME BIOSIGNAL LTD (AU) 2005-08-24 EP disclosed
EP-1539692-A1 FURANONE DERIVATIVES AND METHODS OF MAKING SAME Biosignal Limited (AU) 2005-06-15 EP disclosed
WO-2004016588-A1 FURANONE DERIVATIVES AND METHODS OF MAKING SAME BIOSIGNAL LIMITED (AU) 2004-02-26 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-20050215772-A1 Furanone derivatives and methods of making same PFAS, CFAP20, FDPS EPHX1 2196/4885HTT 2149/4885ALDH1A1 1907/4885

“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.