SCHEMBL69901

SCHEMBL69901

CCSc1cc(O)cc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
PTGS2 P35354 4/20 0.38
CYP3A4 P08684 2/20 0.38
ACHE P22303 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SLC6A4 P31645 4/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.33
MEN1 O00255 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 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
SCHEMBL70140 0.80 MAPT (0.41) BACE1PTGS2CYP3A4ACHECA12
SCHEMBL2866808 0.80 SLC6A4 (0.39) PTGS2SLC6A4EPHX2ALDH1A1MAOA
SCHEMBL5749116 0.77 ACHE (0.47) PTGS2CYP3A4ACHECA12CA1
SCHEMBL68666 0.77 PTGS2 (0.47) PTGS2CYP3A4MAOA
SCHEMBL10889134 0.75 PTGS2 (0.33) PTGS2SLC6A4EPHX2MAOAPTGS1
SCHEMBL10293433 0.74 PTGS1 (0.57) PTGS2CYP3A4CA12CA1CA2
SCHEMBL3371540 0.74 NR1H2 (0.50) PTGS2CYP3A4ACHECA12CA1
Resorcinol SCHEMBL27620444 0.73 ALDH1A1 (0.48) PTGS2CYP3A4ACHECA12CA2
SCHEMBL11157064 0.72 BACE1 (0.40) BACE1PTGS2ACHEALDH1A1MEN1
SCHEMBL3510024 0.70 ALDH1A1 (0.36) PTGS2SLC6A4EPHX2ALDH1A1MAOA

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 BACE1 4856/4885PTGS2 2866/4885CYP3A4 2028/4885

“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.