SCHEMBL753978

SCHEMBL753978

CC(=O)c1oc(-c2ccc(C)cc2)cc1Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
MAPT P10636 1/20 0.45
KDR P35968 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAOB P27338 3/20 0.41
CNR2 P34972 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ANO1 Q5XXA6 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
MAOA P21397 1/20 0.38
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 2/20 0.37

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
SCHEMBL27588301 0.88 MAPT (0.44) RETMAPTKDRALDH1A1MAOB
SCHEMBL755219 0.81 CNR2 (0.44) RETMAPTKDRALDH1A1MAOB
SCHEMBL2486036 0.79 ALDH1A1 (0.38) RETMAPTKDRALDH1A1MAOB
SCHEMBL2486035 0.79 ALDH1A1 (0.38) RETMAPTKDRALDH1A1MAOB
SCHEMBL753861 0.78 LIPG (0.43) RETMAPTKDRALDH1A1MAOB
SCHEMBL753309 0.77 CNR2 (0.40) MAOBCNR2GPR55L3MBTL1CNR1
SCHEMBL10290270 0.75 CNR2 (0.39) MAPTMAOBCNR2GPR55TP53
SCHEMBL753713 0.75 MEN1 (0.43) ALDH1A1MAOBCNR2GPR55TP53
SCHEMBL755038 0.74 POLB (0.40) MAPTALDH1A1CNR2GPR55SMN1; SMN2
SCHEMBL753269 0.74 CNR2 (0.38) MAOBCNR2GPR55KMT2ACNR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT RET 3941/4885MAPT 4635/4885KDR 3033/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RET 3047/4885MAPT 4426/4885KDR 2913/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI RET 3047/4885MAPT 4426/4885KDR 2913/4885

“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.