SCHEMBL755692

SCHEMBL755692

CC(C)(C)[Si](C)(C)OCc1cc(=O)c(OCc2ccccc2)c(CO)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
ELANE P08246 1/20 0.38
HTR2B P41595 1/20 0.37
CREB1 P16220 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
TEAD4 Q15561 1/20 0.35
GSTP1 P09211 1/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
DAO P14920 1/20 0.34
MEN1 O00255 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
SCHEMBL4684915 0.84 ELANE (0.40) LMNAGAAELANEHTR2BCREB1
SCHEMBL7622844 0.83 KDM4E (0.48) LMNAGAAHTR2BCREB1POLB
SCHEMBL752436 0.82 LMNA (0.38) LMNAGAAELANEHTR2BCREB1
SCHEMBL16921605 0.82 LMNA (0.44) LMNAGAAHTR2BCREB1POLB
SCHEMBL16925513 0.82 DUT (0.32) LMNAPOLBALDH1A1KDM4E
SCHEMBL3560853 0.81 LMNA (0.43) LMNAGAAELANECREB1POLB
SCHEMBL10290053 0.80 CREB1 (0.41) LMNAGAAHTR2BCREB1POLB
SCHEMBL18837875 0.80 ALDH1A1 (0.43) LMNAGAAHTR2BCREB1POLB
SCHEMBL4318848 0.80 HTR2B (0.43) LMNAGAAHTR2BCREB1POLB
SCHEMBL10443608 0.79 MAOA (0.43) LMNAGAAELANEHTR2BCREB1

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 LMNA 2825/4885GAA 1106/4885ELANE 3978/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885GAA 1442/4885ELANE 3476/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI LMNA 2945/4885GAA 1442/4885ELANE 3476/4885

“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.