SCHEMBL71133

SCHEMBL71133

CCC/C=C(\C)c1cc(O)cc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.46
PTGS2 P35354 8/20 0.46
NQO2 P16083 3/20 0.46
CA5A P35218 1/20 0.41
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CYP3A4 P08684 1/20 0.36
BACE1 P56817 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
SCHEMBL71134 1.00 PTGS1 (0.46) PTGS1PTGS2NQO2CA5ACA12
SCHEMBL3643889 0.79 ESR1 (0.50) PTGS1PTGS2NQO2CYP3A4
SCHEMBL3643887 0.79 ESR1 (0.50) PTGS1PTGS2NQO2CYP3A4
SCHEMBL11023529 0.78 ESR1 (0.37) CYP3A4
SCHEMBL1193728 0.72 CYP1A2 (0.42) PTGS2CYP3A4
SCHEMBL10907609 0.72 CYP1A2 (0.42) PTGS2CYP3A4
SCHEMBL9757698 0.72 CYP1A2 (0.42) PTGS2CYP3A4
SCHEMBL11737931 0.72 PTGS2 (0.42) PTGS2CYP3A4
SCHEMBL11737924 0.72 PTGS2 (0.42) PTGS2CYP3A4
SCHEMBL10360885 0.71 ESR1 (0.39) CA12CA1CA2CA9

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 PTGS1 2544/4885PTGS2 2866/4885NQO2 1135/4885

“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.