SCHEMBL69626

SCHEMBL69626

C=Cc1cc(O)cc(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 8/20 0.44
SLC22A8 Q8TCC7 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
ACHE P22303 3/20 0.39
CYP3A4 P08684 4/20 0.38
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL28686576 0.80 TRPA1 (0.37) ESR1ESR2SLC22A8SLC22A6ACHE
SCHEMBL13981294 0.78 ESR1 (0.42) ESR1ESR2SLC22A8SLC22A6CYP3A4
SCHEMBL769129 0.77 ERN1 (0.46) ESR1ESR2ACHECYP3A4MEN1
SCHEMBL63113 0.74 ACHE (0.65) ESR1ESR2ACHECYP3A4GAA
SCHEMBL16541776 0.74 CA5A (0.38) ESR1ESR2SLC22A8SLC22A6ACHE
SCHEMBL12189699 0.73 CYP3A4 (0.39) ESR1ESR2SLC22A8SLC22A6CYP3A4
Phloroglucinol SCHEMBL677338 0.72 ACHE (0.61) ESR1ESR2ACHECYP3A4GAA
SCHEMBL19084150 0.71 CYP3A4 (0.63) ACHECYP3A4TDP1PTPN1MEN1
SCHEMBL13313586 0.70 PTPN1 (0.68) ESR1CYP3A4GAAALDH1A1TDP1
SCHEMBL27891224 0.70 PTPN1 (0.68) ESR1CYP3A4GAAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ESR1 1265/4885ESR2 2595/4885SLC22A8 3025/4885

“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.