SCHEMBL13830813

SCHEMBL13830813

CCOC(=O)/C=C/c1ccc(C(N)=O)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 4/20 0.72
▸ DPP4 P27487 1/20 0.72
▸ CYP3A4 P08684 1/20 0.64
▸ MAOB P27338 1/20 0.61
▸ CA12 O43570 1/20 0.60
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ CA7 P43166 1/20 0.60
▸ CA9 Q16790 1/20 0.60
▸ CA14 Q9ULX7 1/20 0.60
▸ APP P05067 10/20 0.57
▸ FDPS P14324 1/20 0.52
▸ AKR1B10 O60218 1/20 0.48
▸ AKR1B1 P15121 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47

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
SCHEMBL6173521 0.89 TTR (0.72) TTRDPP4CYP3A4MAOBCA12
SCHEMBL6173515 0.89 TTR (0.72) TTRDPP4CYP3A4MAOBCA12
SCHEMBL14898203 0.84 TTR (0.65) TTRDPP4CYP3A4MAOBCA12
Ethyl Caffeate SCHEMBL30602576 0.84 TTR (1.00) TTRDPP4CYP3A4MAOBCA12
Ethyl Caffeate SCHEMBL31059266 0.84 TTR (1.00) TTRDPP4CYP3A4MAOBCA12
Ethyl Caffeate SCHEMBL782032 0.84 TTR (1.00) TTRDPP4CYP3A4MAOBCA12
Ethyl Caffeate SCHEMBL30286241 0.84 TTR (1.00) TTRDPP4CYP3A4MAOBCA12
Ethyl Caffeate SCHEMBL782033 0.84 TTR (1.00) TTRDPP4CYP3A4MAOBCA12
Ethyl Caffeate SCHEMBL22196845 0.84 TTR (1.00) TTRDPP4CYP3A4MAOBCA12
SCHEMBL2261784 0.83 TTR (0.76) TTRDPP4CYP3A4MAOBCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 — — US disclosed
US-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2014-06-12 — — US disclosed
WO-2012154213-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-15 — — 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 (2 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-20140161729-A1 COFLUORONS AND METHODS OF MAKING AND USING THEM TNFSF11, CD14, TNFRSF1A TTR 2426/4885DPP4 3760/4885CYP3A4 2264/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TTR 311/4885DPP4 4814/4885CYP3A4 4806/4885

“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.

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