SCHEMBL755668

SCHEMBL755668

CC(=O)c1c(O)cccc1OCc1ccc(F)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.77
KMT2A Q03164 3/20 0.56
RAB9A P51151 1/20 0.56
MAOA P21397 2/20 0.55
MEN1 O00255 2/20 0.50
THRB P10828 1/20 0.49
NR4A2 P43354 1/20 0.46
ALOX5 P09917 1/20 0.46
APP P05067 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL30892463 0.88 MAOB (0.76) MAOBTHRBMAPTL3MBTL1
SCHEMBL1728168 0.88 MAOB (0.76) MAOBTHRBMAPTL3MBTL1
SCHEMBL29563218 0.87 MAOB (1.00) MAOBKMT2ARAB9AMAOAMEN1
SCHEMBL24978450 0.86 MAOB (0.73) MAOBRAB9AMAOATHRBALOX5
SCHEMBL756911 0.84 MAOB (0.57) MAOBKMT2ARAB9AMAOAMEN1
SCHEMBL764338 0.80 MAOB (0.51) MAOBKMT2ARAB9AMAOAMEN1
SCHEMBL29562476 0.80 MAOB (0.82) MAOBMAOATHRBALOX5
SCHEMBL12009587 0.79 MAOB (0.63) MAOBTHRBLMNAMAPT
SCHEMBL757245 0.79 MAOB (0.56) MAOBKMT2ARAB9AMAOAMEN1
SCHEMBL1448829 0.78 MAOB (0.61) MAOBTHRBMAPTL3MBTL1

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 13 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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
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-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 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 MAOB 900/4885KMT2A 667/4885RAB9A 1242/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI MAOB 900/4885KMT2A 667/4885RAB9A 1242/4885

“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.