SCHEMBL754549

SCHEMBL754549

CCN1CC(C(=O)c2oc(C(C)(C)OC)cc2Cc2ccc(F)cc2)=C(O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 11/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GPR55 Q9Y2T6 3/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CNR1 P21554 1/20 0.31

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
SCHEMBL754498 0.91 LIPG (0.38) LIPGPDE3BPDE3AGPR55CNR2
SCHEMBL754083 0.90 LIPG (0.45) LIPGGPR55CNR2HSP90AA1CNR1
SCHEMBL2777687 0.81 LIPG (0.37) LIPGPDE3BPDE3AGPR55CNR2
SCHEMBL754111 0.80 LIPG (0.45) LIPGGPR55CNR2MEN1KMT2A
SCHEMBL764278 0.78 NPSR1 (0.39) LIPGPDE3BPDE3AGPR55CNR2
SCHEMBL752993 0.78 LIPG (0.40) LIPGPDE3BPDE3AGPR55CNR2
SCHEMBL754547 0.77 LIPG (0.38) LIPGPDE3BPDE3AGPR55CNR2
SCHEMBL752760 0.77 NPSR1 (0.35) LIPGGPR55CNR2MEN1KMT2A
SCHEMBL765758 0.76 CNR2 (0.37) GPR55CNR2MEN1KMT2AHSP90AA1
SCHEMBL2486832 0.74 ALDH1A1 (0.41) LIPGALDH1A1

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 4229/4885PDE3B 2465/4885PDE3A 2706/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LIPG 4229/4885PDE3B 2465/4885PDE3A 2706/4885

“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.