SCHEMBL17536185

SCHEMBL17536185

CC(C)=CCC[C@]1(C)C=Cc2c(CCC(=O)c3ccc(OCCN(C)C)cc3O)ccc(O)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.40
▸ CTSK P43235 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ IDE P14735 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ APP P05067 2/20 0.38
▸ NR1H4 Q96RI1 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ SLC6A2 P23975 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ LDHA P00338 1/20 0.36

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
SCHEMBL17536186 1.00 BCHE (0.40) BCHECTSKALOX5PTGS1POLB
Hydrochloric Acid SCHEMBL17536188 0.99 BCHE (0.40) BCHECTSKALOX5PTGS1POLB
Hydrochloric Acid SCHEMBL17536187 0.99 BCHE (0.40) BCHECTSKALOX5PTGS1POLB
SCHEMBL17549834 0.86 CTSK (0.52) BCHECTSKALOX5PTGS1POLB
SCHEMBL31297041 0.86 CTSK (0.52) BCHECTSKALOX5PTGS1POLB
SCHEMBL27874620 0.86 CTSK (0.52) BCHECTSKALOX5PTGS1POLB
SCHEMBL18559089 0.76 MAOB (0.38) —
SCHEMBL18559012 0.74 CTSK (0.46) CTSK
SCHEMBL27765790 0.71 MAPT (0.49) BCHECTSKALOX5PTGS1POLB
SCHEMBL30880719 0.69 APP (0.55) BCHECTSKALOX5PTGS1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580399-B2 Geranyl flavonoid derivative with improved water solubility, a method for preparing the same, and a method for treating cancer using the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-02-28 — — US disclosed
US-9580399-B2 Geranyl flavonoid derivative with improved water solubility, a method for preparing the same, and a method for treating cancer using the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-02-28 — — US disclosed
US-9580399-B2 Geranyl flavonoid derivative with improved water solubility, a method for preparing the same, and a method for treating cancer using the same KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-02-28 — — US disclosed
US-20160060239-A1 GERANYL FLAVONOID DERIVATIVE WITH IMPROVED WATER SOLUBILITY, A METHOD FOR PREPARING THE SAME, AND A METHOD FOR TREATING CANCER USING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-03-03 — — US disclosed
US-20160060239-A1 GERANYL FLAVONOID DERIVATIVE WITH IMPROVED WATER SOLUBILITY, A METHOD FOR PREPARING THE SAME, AND A METHOD FOR TREATING CANCER USING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-03-03 — — US disclosed
US-20160060239-A1 GERANYL FLAVONOID DERIVATIVE WITH IMPROVED WATER SOLUBILITY, A METHOD FOR PREPARING THE SAME, AND A METHOD FOR TREATING CANCER USING THE SAME KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-03-03 — — 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-20160060239-A1 GERANYL FLAVONOID DERIVATIVE WITH IMPROVED WATER SOLUBILITY, A METHOD FOR PREPARING THE SAME, AND A METHOD FOR TREATING CANCER USING THE SAME STAT3, JAK2, ILF3 BCHE 4837/4885CTSK 4239/4885ALOX5 2192/4885

“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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