SCHEMBL17549834

SCHEMBL17549834

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.52
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ BCHE P06276 3/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ APP P05067 2/20 0.43
▸ NR1H4 Q96RI1 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ TRPA1 O75762 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ CNR2 P34972 1/20 0.42

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
SCHEMBL31297041 1.00 CTSK (0.52) CTSKPOLBGAAMAPTIDE
SCHEMBL27874620 1.00 CTSK (0.52) CTSKPOLBGAAMAPTIDE
SCHEMBL17536186 0.86 BCHE (0.40) CTSKPOLBGAAMAPTIDE
SCHEMBL17536185 0.86 BCHE (0.40) CTSKPOLBGAAMAPTIDE
Hydrochloric Acid SCHEMBL17536188 0.85 BCHE (0.40) CTSKPOLBGAAMAPTIDE
Hydrochloric Acid SCHEMBL17536187 0.85 BCHE (0.40) CTSKPOLBGAAMAPTIDE
SCHEMBL27765790 0.84 MAPT (0.49) CTSKPOLBGAAMAPTIDE
SCHEMBL31297039 0.78 CTSK (0.51) CTSKALOX5
SCHEMBL30880719 0.76 APP (0.55) CTSKPOLBGAAMAPTIDE
SCHEMBL29775511 0.71 PTPN1 (0.51) CTSKPOLBGAAMAPTIDE

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 4 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-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 CTSK 4239/4885POLB 4410/4885GAA 3558/4885

“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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