SCHEMBL754559

SCHEMBL754559

CC(C)N1CC(C(=O)c2coc(Cc3ccc(F)cc3)c2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.35
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
IDH1 O75874 3/20 0.32
HSD17B10 Q99714 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PRNP P04156 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL752116 0.86 LIPG (0.47) LIPGALDH1A1POLB
SCHEMBL754318 0.83 LIPG (0.36) LIPGALDH1A1KDM4EHPGDHSP90AA1
SCHEMBL752004 0.83 ALDH1A1 (0.40) LIPGALDH1A1POLBKDM4EHPGD
SCHEMBL754479 0.81 CNR2 (0.37) LIPGALDH1A1POLBHSP90AA1
SCHEMBL752870 0.80 LIPG (0.35) LIPGIDH1MAPT
SCHEMBL16908924 0.79 NPSR1 (0.35) LIPGALDH1A1POLBKDM4EHPGD
SCHEMBL752754 0.79 NPSR1 (0.35) LIPGIDH1MAPT
SCHEMBL752712 0.78 LIPG (0.35) LIPGALDH1A1KDM4EHPGDIDH1
SCHEMBL753282 0.78 LIPG (0.37) LIPGALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3428686 0.77 HSD17B2 (0.38) LIPGALDH1A1POLBKDM4EHPGD

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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 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 (2 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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885ALDH1A1 424/4885POLB 107/4885

“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.