SCHEMBL751935

SCHEMBL751935

COC(=O)C(O)=CC(=O)c1oc(C2CCCCC2)cc1Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.41
CNR2 P34972 6/20 0.41
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTGDR Q13258 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL16921576 1.00 CNR1 (0.41) CNR1CNR2PDE3BPDE3APTGDR2
SCHEMBL12206808 0.90 CNR2 (0.34) CNR1CNR2PDE3BPDE3AMEN1
SCHEMBL18531596 0.84 CNR1 (0.45) CNR1CNR2PDE3BPDE3AMEN1
SCHEMBL753802 0.83 CNR1 (0.39) CNR1CNR2PDE3BPDE3APTGDR2
SCHEMBL753145 0.81 CNR2 (0.37) CNR1CNR2PDE3BPDE3AMEN1
SCHEMBL753146 0.81 CNR2 (0.37) CNR1CNR2PDE3BPDE3AMEN1
SCHEMBL755018 0.81 PDE3B (0.37) CNR2PDE3BPDE3AMEN1KMT2A
SCHEMBL765523 0.80 CNR2 (0.41) CNR1CNR2PDE3BPDE3APTGDR2
SCHEMBL2485045 0.79 MAPK14 (0.42) CNR1CNR2MEN1KMT2ANPSR1
SCHEMBL2485043 0.79 MAPK14 (0.42) CNR1CNR2MEN1KMT2ANPSR1

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 CNR1 2564/4885CNR2 3965/4885PDE3B 2465/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CNR1 2564/4885CNR2 3965/4885PDE3B 2465/4885

“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.