SCHEMBL17281068

SCHEMBL17281068

CC/C=C(\C)CO[C@@H]1OC(COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)C1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 6/20 0.70
▸ CYP19A1 P11511 2/20 0.70
▸ MMP2 P08253 1/20 0.59
▸ MMP3 P08254 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP12 P39900 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ AKR1B1 P15121 1/20 0.51
▸ KDM1A O60341 2/20 0.51
▸ TTR P02766 2/20 0.50
▸ DPP4 P27487 1/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ APP P05067 3/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ BACE1 P56817 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL17284917 0.93 PRKCA (0.67) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL17281059 0.93 PRKCA (0.67) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL28035112 0.88 PRKCA (0.75) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL28901133 0.83 PRKCA (0.72) PRKCACYP19A1MMP2MMP3MMP9
Calceolarioside B SCHEMBL30913582 0.82 PRKCA (1.00) PRKCACYP19A1MMP2MMP3MMP9
Calceolarioside B SCHEMBL29785210 0.82 PRKCA (1.00) PRKCACYP19A1MMP2MMP3MMP9
Calceolarioside B SCHEMBL17173771 0.82 PRKCA (1.00) PRKCACYP19A1MMP2MMP3MMP9
Calceolarioside B SCHEMBL27983548 0.82 PRKCA (1.00) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL17173773 0.81 PRKCA (0.86) PRKCACYP19A1MMP2MMP3MMP9
SCHEMBL17177798 0.79 PRKCA (0.79) PRKCACYP19A1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150337001-A1 ASTER GLEHNI EXTRACTS, FRACTIONS OR COMPOUNDS ISOLATED THEREFROM FOR THE TREATMENT OR PREVENTION OF HYPERURICEMIA OR GOUT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-26 — — 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-20150337001-A1 ASTER GLEHNI EXTRACTS, FRACTIONS OR COMPOUNDS ISOLATED THEREFROM FOR THE TREATMENT OR PREVENTION OF HYPERURICEMIA OR GOUT HADH, GGH, ARF6 PRKCA 1760/4885CYP19A1 3086/4885MMP2 1571/4885

“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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