SCHEMBL756455

SCHEMBL756455

CC(=O)c1ccc(Cc2ccc(F)cc2OC(C)C)o1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 4/20 0.36
TMEM97 Q5BJF2 4/20 0.36
SIGMAR1 Q99720 4/20 0.36
POLB P06746 2/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAOA P21397 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL753321 0.86 HTT (0.43) HTTPOLBALDH1A1
SCHEMBL754516 0.85 FFAR4 (0.42) PTGER1HTTNPSR1ALDH1A1TSHR
SCHEMBL2488049 0.81 HTT (0.36) PTGER1HTTNPSR1POLB
SCHEMBL749616 0.78 LIPG (0.41) KCNH2TMEM97SIGMAR1HTR2A
SCHEMBL752986 0.77 KCNH2 (0.34) PTGER1KCNH2TMEM97SIGMAR1POLB
SCHEMBL27777097 0.75 ALDH1A1 (0.44) HTTPOLBALDH1A1
SCHEMBL752312 0.75 HTT (0.34) HTTPOLBMAOBALDH1A1TSHR
SCHEMBL3221601 0.74 HTT (0.47) HTTNPSR1POLBMAOBALDH1A1
SCHEMBL765052 0.72 KMT2A (0.48) HTTPOLBALDH1A1TSHR
SCHEMBL8418212 0.72 KCNH2 (0.38) NPSR1KCNH2TMEM97SIGMAR1POLB

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 PTGER1 4133/4885HTT 4561/4885NPSR1 4178/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGER1 3786/4885HTT 4541/4885NPSR1 4131/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI PTGER1 3786/4885HTT 4541/4885NPSR1 4131/4885

“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.