SCHEMBL755446

SCHEMBL755446

O=C(c1ccc(Cc2ccc(F)cc2)o1)c1oc(CO)cc(=O)c1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TEAD4 Q15561 5/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
USP2 O75604 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KMT2A Q03164 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL753335 0.86 CNR2 (0.38) ALDH1A1POLBCNR2GPR55KMT2A
SCHEMBL753088 0.85 POLB (0.38) ALDH1A1MAPTPOLBCNR2GPR55
SCHEMBL755559 0.85 MMP3 (0.47) ALDH1A1KDM4EGAAPOLBCNR2
SCHEMBL753758 0.84 MMP3 (0.38) ALDH1A1GAAPOLBCNR2GPR55
Dimethylamine SCHEMBL752802 0.82 CNR2 (0.38) ALDH1A1GAAMAPTPOLBCNR2
SCHEMBL755450 0.82 POLB (0.36) ALDH1A1POLBCNR2GPR55USP2
Methylamine SCHEMBL753441 0.82 CNR2 (0.38) ALDH1A1KDM4EMAPTPOLBCNR2
SCHEMBL754276 0.82 ESR1 (0.35) TEAD4ALDH1A1POLBCNR2GPR55
SCHEMBL753407 0.81 HTT (0.49) ALDH1A1KDM4EMAPTPOLBCNR2
SCHEMBL755706 0.81 MMP3 (0.41) ALDH1A1KDM4EPOLBL3MBTL1KMT2A

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 15 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-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
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
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 TEAD4 1289/4885ALDH1A1 658/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TEAD4 919/4885ALDH1A1 424/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI TEAD4 919/4885ALDH1A1 424/4885KDM4E 382/4885

“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.