SCHEMBL2058821

SCHEMBL2058821

CC(=O)N[C@H]1[C@H](O[C@@H]2CC[C@@]3(C)C(CCC4C3CC[C@@]3(C)C4CC[C@@H]3[C@H](C)CCCC(C)C)C2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 17/20 0.59
FGF1 P05230 9/20 0.59
FGF2 P09038 8/20 0.58
POLA1 P09884 1/20 0.54
CDC25A P30304 1/20 0.54

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
SCHEMBL12590996 1.00 HPSE (0.59) HPSEFGF1FGF2POLA1CDC25A
SCHEMBL12591000 0.90 HPSE (0.64) HPSEFGF1FGF2POLA1CDC25A
SCHEMBL2059166 0.84 NR1H4 (0.68) HPSEFGF1FGF2POLA1CDC25A
SCHEMBL13211407 0.84 NR1H4 (0.68) HPSEFGF1FGF2POLA1CDC25A
SCHEMBL12590999 0.84 NR1H4 (0.68) HPSEFGF1FGF2POLA1CDC25A
SCHEMBL2059338 0.83 HPSE (0.54) HPSEFGF1FGF2CDC25A
SCHEMBL13211410 0.82 HPSE (0.54) HPSEFGF1FGF2POLA1CDC25A
SCHEMBL11421869 0.81 VDR (0.53) HPSEFGF1FGF2
SCHEMBL24403430 0.79 VDR (0.79) POLA1CDC25A
SCHEMBL13214256 0.79 VDR (0.79) POLA1CDC25A

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 HPSE 1920/4885FGF1 2169/4885FGF2 3645/4885

“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.