SCHEMBL2059165

SCHEMBL2059165

CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@](CO)(C2CC[C@@]3(C)C(CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)O[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.52
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ POLA1 P09884 1/20 0.51
▸ INPP5D Q92835 1/20 0.51
▸ GPBAR1 Q8TDU6 3/20 0.46
▸ HIF1A Q16665 3/20 0.46
▸ VDR P11473 2/20 0.46
▸ USP2 O75604 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ ST6GAL1 P15907 1/20 0.46
▸ CASP7 P55210 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MDM4 O15151 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL2059168 1.00 CDC25A (0.52) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL2058819 0.82 CDC25A (0.49) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL2058823 0.82 CDC25A (0.49) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL18541463 0.78 BCHE (0.68) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL21206235 0.78 BCHE (0.68) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL12279967 0.78 BCHE (0.68) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL2553921 0.78 BCHE (0.68) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL9580404 0.78 BCHE (0.68) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL18541412 0.78 BCHE (0.68) CDC25ACYP2C19CYP2D6POLA1INPP5D
SCHEMBL2059166 0.76 NR1H4 (0.68) CDC25APOLA1NR1H4HPSE

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
EP-1921086-B1 ANTITUMOR AGENT OTSUKA PHARMA CO LTD (JP) 2014-04-16 — — EP disclosed
US-7968116-B2 Antitumor agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-06-28 — — US disclosed
US-20100292176-A1 ANTITUMOR AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-18 — — US disclosed
EP-1921086-A1 ANTITUMOR AGENT Otsuka Pharmaceutical Co., Ltd. (JP) 2008-05-14 — — EP 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-20100292176-A1 ANTITUMOR AGENT CYP46A1, CETP, GYS2 CDC25A 731/4885CYP2C19 3594/4885CYP2D6 3175/4885

“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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